-ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 -1.0250 -8.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -9.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2792 -9.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4667 -9.0083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4667 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2792 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -9.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -9.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -8.1458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2125 -7.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7000 -7.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7000 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -6.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -8.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -6.8583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4458 -6.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7708 -9.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -10.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -8.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -10.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4458 -5.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1917 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -7.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -7.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -6.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -8.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -9.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -10.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -10.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -11.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -11.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -11.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -9.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -11.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -9.8667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -8.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 11 23 1 6 0 0 0 3 24 1 6 0 0 0 17 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 18 1 0 0 0 0 27 29 1 6 0 0 0 18 30 1 1 0 0 0 17 31 1 1 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 28 34 1 1 0 0 0 23 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 40 1 0 0 0 0 43 46 1 0 0 0 0 4 47 1 6 0 0 0 10 48 1 6 0 0 0 M END > CFN97217 > 27-p-Coumaroyloxyursolic acid > 73584-67-5 > 98% > C39H54O6 > 618.9 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/27-p-Coumaroyloxyursolic-acid-CFN97217.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 3.4625 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2667 -9.0417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0750 -8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0750 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2667 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -9.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -7.6458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8792 -7.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4917 -7.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4917 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -7.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -7.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -6.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2958 -5.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6542 -9.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -6.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -8.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -5.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2958 -4.8542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0750 -9.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -8.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 -7.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -6.7125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7333 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -9.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2958 -8.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -8.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 17 22 1 1 0 0 0 11 23 1 6 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 18 1 0 0 0 0 4 28 1 6 0 0 0 10 29 1 6 0 0 0 30 22 1 0 0 0 0 22 31 2 0 0 0 0 26 32 1 6 0 0 0 18 33 1 1 0 0 0 3 34 1 6 0 0 0 3 35 1 1 0 0 0 27 36 1 1 0 0 0 23 37 1 0 0 0 0 23 38 2 0 0 0 0 M END > CFN98694 > Quinovic acid > 465-74-7 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Quinovic-acid-CFN98694.html $$$$ -ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 2.9500 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7375 -11.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7375 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3125 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8875 -9.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6750 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1625 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6750 -6.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -11.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -10.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -11.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -11.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2000 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -12.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3750 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -13.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -10.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -10.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -8.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 6 0 0 0 36 41 1 6 0 0 0 39 42 1 6 0 0 0 29 44 1 1 0 0 0 28 45 1 6 0 0 0 24 46 2 0 0 0 0 24 47 1 0 0 0 0 37 43 1 1 0 0 0 18 48 1 1 0 0 0 M END > CFN99060 > Quinovic acid 3-O-alpha-L-rhamnopyranoside > 104055-76-7 > 98% > C36H56O9 > 632.8 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quinovic-acid-3-O-alpha-L-rhamnopyranoside-CFN99060.html $$$$ -ISIS- 10201511232D 48 53 0 0 0 0 0 0 0 0999 V2000 2.9500 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7375 -11.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7375 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3125 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8875 -9.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6750 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1625 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6750 -6.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -11.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -10.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -11.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -11.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2000 -12.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -12.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3750 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -13.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -10.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -10.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -7.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 39 42 1 6 0 0 0 29 44 1 1 0 0 0 28 45 1 6 0 0 0 24 46 2 0 0 0 0 24 47 1 0 0 0 0 18 48 1 1 0 0 0 37 43 1 6 0 0 0 M END > CFN99084 > Quinovin > 107870-05-3 > 98% > C36H56O9 > 632.8 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quinovin-CFN99084.html $$$$ -ISIS- 10201511232D 51 57 0 0 0 0 0 0 0 0999 V2000 5.5542 -11.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -12.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3375 -12.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1208 -12.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1208 -11.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3375 -11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -12.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -11.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9000 -11.0167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4625 -11.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4625 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -10.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -11.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -10.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2458 -9.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7750 -12.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -13.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 -10.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 -10.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8083 -10.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -11.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -13.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8083 -9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8083 -8.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -8.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2458 -8.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1208 -13.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -11.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5875 -10.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8083 -11.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -13.2708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2125 -12.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -13.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4292 -14.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2125 -14.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9917 -14.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6500 -12.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -14.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -8.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0125 -12.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -12.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 -14.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -15.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0250 -15.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -16.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -15.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2458 -10.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 36 40 1 1 0 0 0 39 41 1 6 0 0 0 29 42 1 1 0 0 0 28 43 1 6 0 0 0 24 44 2 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 37 46 1 1 0 0 0 38 48 1 1 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 18 51 1 1 0 0 0 M END > CFN99850 > Quinovic acid 3-O-(3',4'-O-isopropylidene)-beta-D-fucopyranoside > 182132-59-8 > 98% > C39H60O9 > 672.9 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quinovic-acid-3-O-3-4-O-isopropylidene-beta-D-fucopyranoside-CFN99850.html $$$$ -ISIS- 10201511232D 49 54 0 0 0 0 0 0 0 0999 V2000 2.9500 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7375 -11.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -10.6042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5250 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7375 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -9.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3125 -9.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8875 -9.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8875 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -8.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -9.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -9.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -8.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6750 -7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1625 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -8.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -11.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -7.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6750 -6.9667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5250 -11.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -10.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0375 -8.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -11.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -11.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -11.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2000 -12.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5875 -12.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3750 -12.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5875 -13.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -11.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -12.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -6.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -10.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -10.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -11.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -8.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 39 42 1 6 0 0 0 29 44 1 1 0 0 0 28 45 1 6 0 0 0 24 46 2 0 0 0 0 24 47 1 0 0 0 0 37 43 1 6 0 0 0 41 48 1 0 0 0 0 18 49 1 1 0 0 0 M END > CFN97273 > Quinovic acid 3-O-beta-D-glucoside > 79955-41-2 > 98% > C36H56O10 > 648.8 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quinovic-acid-3-O-beta-D-glucoside-CFN97273.html $$$$ -ISIS- 10201511232D 59 65 0 0 0 0 0 0 0 0999 V2000 7.7417 -10.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -11.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4833 -12.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2292 -11.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2292 -10.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4833 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 -12.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -11.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -10.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9708 -10.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4542 -10.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4542 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -9.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 -9.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1958 -10.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 -10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 -9.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1958 -9.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0000 -12.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -12.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -10.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7125 -10.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6833 -10.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -11.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -12.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6833 -9.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6833 -8.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 -7.8958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1958 -8.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2292 -12.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 -11.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4250 -9.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6833 -10.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 -12.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5167 -12.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -12.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7708 -13.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5167 -13.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2583 -13.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5167 -14.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -12.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -13.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -13.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -7.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 -7.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0250 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1958 -11.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -8.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -14.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5458 -13.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -14.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8000 -15.1833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5458 -15.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2875 -15.1833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5458 -16.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -13.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -15.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -15.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -14.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 39 42 1 6 0 0 0 29 44 1 1 0 0 0 28 45 1 6 0 0 0 24 46 2 0 0 0 0 24 47 1 0 0 0 0 18 48 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 49 43 1 1 0 0 0 53 55 1 1 0 0 0 51 56 1 1 0 0 0 54 57 1 6 0 0 0 52 58 1 6 0 0 0 56 59 1 0 0 0 0 37 43 1 1 0 0 0 M END > CFN99801 > Rubelloside B > 167875-39-0 > 98% > C42H66O14 > 795.0 > Powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Rubelloside-B-CFN99801.html $$$$ -ISIS- 10201511232D 59 65 0 0 0 0 0 0 0 0999 V2000 0.8958 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 -5.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6375 -6.3958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3750 -5.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3750 -5.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6375 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -5.1125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -4.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5958 -4.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5958 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.8333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3333 -3.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1583 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -7.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -2.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3333 -2.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3750 -6.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -5.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -5.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -6.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3208 -6.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 -6.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0583 -7.6750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3208 -8.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5833 -7.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3208 -8.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -6.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -8.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 -5.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 -2.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -3.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0292 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7708 -3.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7708 -2.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0292 -2.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2917 -2.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5542 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0292 -1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -3.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 2 19 1 1 0 0 0 3 20 1 1 0 0 0 5 21 1 1 0 0 0 9 22 1 1 0 0 0 17 23 1 1 0 0 0 11 24 1 6 0 0 0 3 25 1 6 0 0 0 17 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 18 1 0 0 0 0 4 30 1 6 0 0 0 10 31 1 6 0 0 0 32 23 1 0 0 0 0 23 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 34 19 1 1 0 0 0 38 40 1 1 0 0 0 36 41 1 1 0 0 0 39 42 1 6 0 0 0 37 43 1 6 0 0 0 29 44 1 1 0 0 0 28 45 1 6 0 0 0 24 46 2 0 0 0 0 24 47 1 0 0 0 0 18 48 1 1 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 49 1 0 0 0 0 49 32 1 1 0 0 0 54 55 1 6 0 0 0 52 56 1 6 0 0 0 53 57 1 1 0 0 0 51 58 1 1 0 0 0 58 59 1 0 0 0 0 M END > CFN99361 > Quinovic acid 3-O-(6-deoxy-beta-D-glucopyranoside) 28-O-beta-D-glucopyranosyl ester > 124727-10-2 > 98% > C42H66O14 > 795.0 > White powder > Triterpenoids > Pyridine, Methanol, Ethanol, etc. > http://www.chemfaces.com/natural/Quinovic-acid-28-O-beta-D-glucopyranosyl-ester-CFN99361.html $$$$ -ISIS- 10201511232D 37 41 0 0 0 0 0 0 0 0999 V2000 4.8208 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8208 -7.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6250 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6250 -7.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2292 -7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2292 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -6.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0333 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8208 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -4.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -5.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8333 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -9.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1792 -10.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -9.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -6.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 2 15 1 1 0 0 0 5 16 1 1 0 0 0 13 17 1 1 0 0 0 7 18 1 6 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 21 23 1 6 0 0 0 2 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 1 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 1 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 22 31 1 1 0 0 0 22 32 1 6 0 0 0 1 33 1 6 0 0 0 6 34 1 6 0 0 0 14 35 1 1 0 0 0 17 36 1 0 0 0 0 17 37 2 0 0 0 0 M END > CFN99387 > Hyptadienic acid > 128397-09-1 > 98% > C30H46O4 > 470.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Hyptadienic-acid-CFN99387.html $$$$ -ISIS- 10201511232D 38 42 0 0 0 0 0 0 0 0999 V2000 4.8208 -8.9125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8208 -7.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6250 -9.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.9875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6250 -7.5208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2292 -7.5208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2292 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -6.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -7.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -6.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0333 -6.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8208 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -7.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -6.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8333 -4.7417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0333 -5.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8333 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -9.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1792 -10.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -9.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -6.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -9.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -8.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -7.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 -6.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -9.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 2 15 1 1 0 0 0 5 16 1 1 0 0 0 13 17 1 1 0 0 0 7 18 1 6 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 14 1 0 0 0 0 21 23 1 6 0 0 0 2 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 1 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 1 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 22 31 1 1 0 0 0 22 32 1 6 0 0 0 1 33 1 6 0 0 0 6 34 1 6 0 0 0 14 35 1 1 0 0 0 17 36 1 0 0 0 0 17 37 2 0 0 0 0 28 38 1 0 0 0 0 M END > CFN92608 > Rosamultic acid > 214285-76-4 > 98% > C30H46O5 > 486.7 > Powder > Triterpenoids > Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc. > http://www.chemfaces.com/natural/Rosamultic-acid-CFN92608.html $$$$