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42 45 0 0 0 0 0 0 0 0999 V2000
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6.2917 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0833 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8792 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8792 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0833 -18.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6708 -20.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4625 -19.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4625 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6708 -18.3458 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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11.8375 -17.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.2542 -20.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.4625 -21.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4625 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2542 -22.9208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0458 -22.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0458 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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8.6708 -22.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.6292 -21.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6292 -22.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4208 -22.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2125 -22.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.2125 -21.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4208 -21.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4208 -20.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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15.0042 -22.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5583 -17.2042 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0
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3 4 2 0 0 0 0
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15 17 1 0 0 0 0
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1 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 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 22 1 0 0 0 0
26 28 1 1 0 0 0
25 29 1 6 0 0 0
27 30 1 6 0 0 0
24 31 1 1 0 0 0
31 32 1 0 0 0 0
33 30 1 1 0 0 0
33 34 1 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 33 1 0 0 0 0
38 39 1 6 0 0 0
37 40 1 1 0 0 0
36 41 1 6 0 0 0
M CHG 2 10 1 42 -1
M END
> <Catalog No.>
CFN92173
> <Name>
Cyanidin-3-O-sambubioside chloride
> <CAS Number>
33012-73-6
> <Purity>
98%
> <Formula>
C26H29ClO15
> <Mol Weight>
617.0
> <Physical Description>
Powder
> <Type of Compound>
Flavonoids
> <Solvent>
Pyridine, Methanol, Ethanol, etc.
> <WebLink>
http://www.chemfaces.com/natural/Cyanidin-3-O-sambubioside-chloride-CFN92173.html
$$$$