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Mol:FL3FADGS0017 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 54 55<br />
M SBL 4 1 59<br />
M SMT 4 CH2OH<br />
M SVB 4 59 -2.7137 0.4142<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 52 53<br />
M SBL 3 1 57<br />
M SMT 3 CH2OH<br />
M SVB 3 57 -2.1002 2.4038<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 50 51<br />
M SBL 2 1 55<br />
M SMT 2 CH2OH<br />
M SVB 2 55 -2.86 -1.3854<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 48 49<br />
M SBL 1 1 53<br />
M SMT 1 OCH3<br />
M SVB 1 53 3.3306 3.1991<br />
S SKP 8<br />
ID FL3FADGS0017<br />
KNApSAcK_ID C00004351<br />
NAME Luteolin 3'-methyl ether 7-sophorotrioside<br />
CAS_RN 63069-54-5<br />
FORMULA C34H42O21<br />
EXACTMASS 786.2218584059999<br />
AVERAGEMASS 786.68468<br />
SMILES C(C(O3)[C@H](O)[C@@H]([C@@H]([C@H](Oc(c6)cc(c(c65)C(=O)C=C(O5)c(c4)cc(c(O)c4)OC)O)3)O[C@@H]([C@@H](O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1)OC([C@H](O)[C@@H]1O)CO)O)O<br />
M END<br />
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