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Mol:FL3FAADS0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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7 8 1 0 0 0 0<br />
8 9 2 0 0 0 0<br />
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10 5 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
1 12 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 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
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13 9 1 0 0 0 0<br />
16 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
6 23 1 0 0 0 0<br />
3 29 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
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31 19 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
25 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 CH2OH<br />
M SBV 1 44 -0.6227 0.0000<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 -0.4003 -0.4003<br />
S SKP 5<br />
ID FL3FAADS0004<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES c(c5)(ccc(c5)OC(O4)C(O)C(O)C(O)C4CO)C(O3)=CC(=O)c(c13)c(O)cc(c(C(C(O)2)OC(C(O)C(O)2)CO)1)O<br />
M END<br />
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