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Mol:FL3FACGS0022 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
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-3.7712 1.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-2.6258 -0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 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 />
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12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
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16 17 2 0 0 0 0<br />
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3 19 1 0 0 0 0<br />
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16 21 1 0 0 0 0<br />
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25 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
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23 29 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
25 18 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 />
34 35 1 0 0 0 0<br />
35 31 1 0 0 0 0<br />
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34 30 1 0 0 0 0<br />
39 38 1 0 0 0 0<br />
27 38 1 0 0 0 0<br />
32 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 43 0.4862 -0.4837<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SBV 2 44 -0.0107 -0.4090<br />
S SKP 5<br />
ID FL3FACGS0022<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(O2)C(OC(O3)C(O)C(O)(C3)CO)C(O)C(C(CO)2)O)c1<br />
M END<br />
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