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Mol:FL5FAAGL0102 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 5 SUP<br />
M SLB 1 5 5<br />
M SAL 5 2 64 65<br />
M SBL 5 1 70<br />
M SMT 5 CH2OH<br />
M SVB 5 70 3.7741 0.95<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 62 63<br />
M SBL 4 1 68<br />
M SMT 4 CH2OH<br />
M SVB 4 68 -3.5113 2.553<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 60 61<br />
M SBL 3 1 66<br />
M SMT 3 CH2OH<br />
M SVB 3 66 -3.5645 1.0767<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 68 69<br />
M SBL 2 1 74<br />
M SMT 2 OCH3<br />
M SVB 2 74 -0.0493 -2.8654<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 66 67<br />
M SBL 1 1 72<br />
M SMT 1 OCH3<br />
M SVB 1 72 -0.5031 -1.1539<br />
S SKP 8<br />
ID FL5FAAGL0102<br />
KNApSAcK_ID C00005922<br />
NAME Kaempferol 3-(2''-sinapylglucoside)-7-sophoroside<br />
CAS_RN 112208-89-6<br />
FORMULA C44H50O25<br />
EXACTMASS 978.26411715<br />
AVERAGEMASS 978.8528000000001<br />
SMILES C(=Cc(c7)cc(OC)c(c(OC)7)O)C(O[C@H]([C@@H]1O)[C@@H](OC(C(=O)5)=C(c(c6)ccc(O)c6)Oc(c54)cc(cc(O)4)O[C@@H]([C@H]2O[C@@H]([C@H]3O)OC([C@@H]([C@H](O)3)O)CO)OC(CO)[C@@H]([C@@H]2O)O)OC([C@@H](O)1)CO)=O<br />
M END<br />
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