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Mol:FL6FA9NC0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
40 44 0 0 0 0 0 0 0 0999 V2000<br />
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1 2 2 0 0 0 0<br />
2 3 1 0 0 0 0<br />
3 4 2 0 0 0 0<br />
4 5 1 0 0 0 0<br />
5 6 2 0 0 0 0<br />
6 1 1 0 0 0 0<br />
2 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 3 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 11 1 0 0 0 0<br />
9 11 1 6 0 0 0<br />
5 17 1 0 0 0 0<br />
4 18 1 0 0 0 0<br />
18 19 2 0 0 0 0<br />
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20 21 2 0 0 0 0<br />
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23 35 1 0 0 0 0<br />
22 36 1 0 0 0 0<br />
21 37 1 0 0 0 0<br />
37 38 1 0 0 0 0<br />
1 39 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 39 40<br />
M SBL 2 1 43<br />
M SMT 2 OCH3<br />
M SVB 2 43 -0.2499 -2.1499<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 37 38<br />
M SBL 1 1 41<br />
M SMT 1 OCH3<br />
M SVB 1 41 0.3292 0.8989<br />
S SKP 8<br />
ID FL6FA9NC0001<br />
KNApSAcK_ID C00008791<br />
NAME 8-trans-[2-(6-Benzoyloxy-4-hydroxy-2-methoxy-3-methylphenyl)ethenyl]-5-methoxyflavan-7-ol<br />
CAS_RN 61136-14-9<br />
FORMULA C33H30O7<br />
EXACTMASS 538.199153314<br />
AVERAGEMASS 538.5871<br />
SMILES c(c5)(c(c(OC)c(C)c5O)C=Cc(c32)c(O)cc(OC)c2CC[C@@H](c(c4)cccc4)O3)OC(=O)c(c1)cccc1<br />
M END<br />
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