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Mol:FL5FAAGL0097 - 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 66 67<br />
M SBL 5 1 72<br />
M SMT 5 CH2OH<br />
M SVB 5 72 0.9332 -3.8624<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 64 65<br />
M SBL 4 1 70<br />
M SMT 4 CH2OH<br />
M SVB 4 70 -1.3871 -1.1093<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 62 63<br />
M SBL 3 1 68<br />
M SMT 3 CH2OH<br />
M SVB 3 68 -4.2238 3.3532<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 3.5094 0.732<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 60 61<br />
M SBL 1 1 66<br />
M SMT 1 OCH3<br />
M SVB 1 66 3.0267 -1.1778<br />
S SKP 8<br />
ID FL5FAAGL0097<br />
KNApSAcK_ID C00005916<br />
NAME Kaempferol 3-(2'''-sinapylsophoroside)-7-glucoside<br />
CAS_RN 82540-86-1,112294-86-7<br />
FORMULA C44H50O25<br />
EXACTMASS 978.26411715<br />
AVERAGEMASS 978.8528000000001<br />
SMILES c(C=CC(=O)OC(C(O)2)[C@H](O[C@H]([C@@H]3OC(=C6c(c7)ccc(O)c7)C(c(c(O6)4)c(O)cc(O[C@H](C5O)O[C@@H](CO)[C@H](C5O)O)c4)=O)[C@H]([C@H](C(O3)CO)O)O)O[C@@H]([C@@H]2O)CO)(c1)cc(c(O)c(OC)1)OC<br />
M END<br />
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