-ISIS- 10201511232D
25 28 0 0 0 0 0 0 0 0999 V2000
6.7458 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7458 -7.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5542 -7.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3583 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3583 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5542 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3083 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -7.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1000 -8.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9250 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5958 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3208 -8.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5542 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3583 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6958 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7125 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -8.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3375 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3083 -8.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3000 -9.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6083 -9.3875 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 1 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 10 1 0 0 0 0
6 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
12 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 1 0 0 0
2 21 1 1 0 0 0
22 3 1 0 0 0 0
10 22 1 0 0 0 0
3 23 1 1 0 0 0
10 24 1 1 0 0 0
13 25 1 1 0 0 0
M END
> <Catalog No.>
CFN97002
> <Name>
beta-Dihydroplumericinic acid
> <CAS Number>
59204-61-4
> <Purity>
98%
> <Formula>
C14H14O6
> <Mol Weight>
278.3
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
> <WebLink>
http://www.chemfaces.com/natural/beta-Dihydroplumericinic-acid-CFN97002.html
$$$$
-ISIS- 10201511232D
27 30 0 0 0 0 0 0 0 0999 V2000
6.7458 -6.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7458 -7.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5542 -7.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.3583 -7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3583 -6.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5542 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -5.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3083 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8583 -7.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1000 -8.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9250 -7.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5958 -8.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3208 -8.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5542 -4.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3583 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6958 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7875 -9.5958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7125 -9.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7458 -8.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3375 -8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3083 -8.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3000 -9.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6083 -9.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3208 -10.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1667 -4.7667 0.0000 C 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 1 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 10 1 0 0 0 0
6 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
12 17 2 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 1 0 0 0
2 21 1 1 0 0 0
22 3 1 0 0 0 0
10 22 1 0 0 0 0
3 23 1 1 0 0 0
10 24 1 1 0 0 0
13 25 1 1 0 0 0
18 26 1 6 0 0 0
16 27 1 0 0 0 0
M END
> <Catalog No.>
CFN97731
> <Name>
Allamandicin
> <CAS Number>
51838-83-6
> <Purity>
98%
> <Formula>
C15H16O7
> <Mol Weight>
308.29
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
> <WebLink>
http://www.chemfaces.com/natural/Allamandicin-CFN97731.html
$$$$
-ISIS- 10201511232D
34 37 0 0 0 0 0 0 0 0999 V2000
5.5583 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5583 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3458 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1417 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1500 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -6.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8208 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0833 -8.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -8.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1417 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -9.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7208 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7208 -8.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9292 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5083 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7208 -10.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5083 -9.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1458 -8.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0625 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -9.6167 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 9 1 0 0 0 0
1 14 1 1 0 0 0
2 15 1 1 0 0 0
3 16 1 1 0 0 0
11 17 2 0 0 0 0
18 16 1 1 0 0 0
18 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 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 1 0 0 0
20 25 1 1 0 0 0
25 26 1 0 0 0 0
23 27 1 6 0 0 0
21 28 1 6 0 0 0
6 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
12 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 6 0 0 0
M END
> <Catalog No.>
CFN99411
> <Name>
15-Demethylplumieride
> <CAS Number>
132586-69-7
> <Purity>
98%
> <Formula>
C20H24O12
> <Mol Weight>
456.4
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/15-Demethylplumieride-CFN99411.html
$$$$
-ISIS- 10201511232D
35 38 0 0 0 0 0 0 0 0999 V2000
5.5583 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5583 -6.2625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3458 -6.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1417 -6.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -5.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1500 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -6.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8208 -6.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8208 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -8.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2250 -7.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -4.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -7.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0833 -8.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -8.1000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1417 -9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -9.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7208 -9.0125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7208 -8.1000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9292 -7.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5083 -7.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -10.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7208 -10.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9292 -6.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5083 -9.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3458 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5583 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1417 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1458 -8.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0625 -8.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -9.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9333 -3.9917 0.0000 C 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 9 1 0 0 0 0
1 14 1 1 0 0 0
2 15 1 1 0 0 0
3 16 1 1 0 0 0
11 17 2 0 0 0 0
18 16 1 1 0 0 0
18 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 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 1 0 0 0
20 25 1 1 0 0 0
25 26 1 0 0 0 0
23 27 1 6 0 0 0
21 28 1 6 0 0 0
6 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
12 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 6 0 0 0
31 35 1 0 0 0 0
M END
> <Catalog No.>
CFN98815
> <Name>
Plumieride
> <CAS Number>
511-89-7
> <Purity>
98%
> <Formula>
C21H26O12
> <Mol Weight>
470.4
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/Plumieride-CFN98815.html
$$$$
-ISIS- 10201511232D
46 50 0 0 0 0 0 0 0 0999 V2000
3.5208 -1.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5208 -2.8750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2875 -3.3208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0667 -2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0667 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2875 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1417 -2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -3.1542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8167 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8167 -4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1917 -3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 -1.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 -3.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2875 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 -4.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0667 -4.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0667 -5.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8333 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6125 -5.5542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6125 -4.6625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8333 -4.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3792 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8333 -6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.3792 -5.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2875 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5208 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0667 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8333 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1167 -5.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0083 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -6.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.8958 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1208 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3458 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 -7.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 -7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 -7.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 -8.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 -8.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3458 -8.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9792 -8.8292 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 9 1 0 0 0 0
1 14 1 1 0 0 0
2 15 1 1 0 0 0
3 16 1 1 0 0 0
11 17 2 0 0 0 0
18 16 1 1 0 0 0
18 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 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 1 0 0 0
20 25 1 1 0 0 0
25 26 1 0 0 0 0
23 27 1 6 0 0 0
21 28 1 6 0 0 0
6 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
12 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 6 0 0 0
36 35 1 0 0 0 0
37 36 1 0 0 0 0
38 37 2 0 0 0 0
39 38 1 0 0 0 0
36 40 2 0 0 0 0
39 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 39 1 0 0 0 0
43 46 1 0 0 0 0
M END
> <Catalog No.>
CFN97278
> <Name>
13-O-p-Coumaroylplumieride
> <CAS Number>
80416-52-0
> <Purity>
98%
> <Formula>
C30H32O14
> <Mol Weight>
616.6
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/13-O-p-Coumaroylplumieride-CFN97278.html
$$$$
-ISIS- 10201511232D
57 62 0 0 0 0 0 0 0 0999 V2000
8.3417 -3.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3417 -3.8292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9875 -4.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6417 -3.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6417 -3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9875 -2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6250 -2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1833 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6250 -4.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.9083 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9083 -5.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6250 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0625 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3417 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3417 -4.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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9.6417 -5.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6417 -6.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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10.2875 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 -5.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7542 -5.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6250 -6.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8750 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4958 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7458 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3708 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4958 -5.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6167 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2417 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6167 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3708 -9.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7458 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2417 -9.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4917 -9.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1167 -9.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3625 -9.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9875 -9.8333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3625 -10.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1167 -10.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9875 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9875 -8.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4917 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2333 -9.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2333 -8.5333 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 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
9 10 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 9 1 0 0 0 0
1 14 1 1 0 0 0
2 15 1 1 0 0 0
3 16 1 1 0 0 0
11 17 2 0 0 0 0
18 16 1 1 0 0 0
18 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 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 1 0 0 0
20 25 1 1 0 0 0
25 26 1 0 0 0 0
23 27 1 6 0 0 0
21 28 1 6 0 0 0
6 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
12 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 6 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
36 40 2 0 0 0 0
39 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 39 1 0 0 0 0
43 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 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 47 1 0 0 0 0
47 46 1 1 0 0 0
51 53 1 1 0 0 0
49 54 1 1 0 0 0
52 55 1 6 0 0 0
50 56 1 6 0 0 0
54 57 1 0 0 0 0
M END
> <Catalog No.>
CFN97673
> <Name>
Protoplumericin A
> <CAS Number>
80396-57-2
> <Purity>
98%
> <Formula>
C36H42O19
> <Mol Weight>
778.72
> <Physical Description>
Powder
> <Type of Compound>
Iridoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/Protoplumericin-A-CFN97673.html
$$$$