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Mol:FL3FACDS0022 - 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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10 5 1 0 0 0 0<br />
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1 20 1 0 0 0 0<br />
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15 37 1 0 0 0 0<br />
38 39 1 0 0 0 0<br />
26 38 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
31 40 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 0.7812 -0.4439<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SBV 2 45 -0.0231 0.4101<br />
S SKP 5<br />
ID FL3FACDS0022<br />
FORMULA C26H28O15<br />
EXACTMASS 580.1428202259999<br />
AVERAGEMASS 580.49152<br />
SMILES O(C5)C(C(C5(O)CO)O)Oc(c(C(C(O)4)OC(C(O)C(O)4)CO)3)cc(c2c3O)OC(=CC2=O)c(c1)ccc(O)c1O<br />
M END<br />
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