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Mol:FL7AAIGL0008 - 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 56 57<br />
M SBL 5 1 61<br />
M SMT 5 CH2OH<br />
M SVB 5 61 0.2057 -2.6485<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 52 53<br />
M SBL 4 1 57<br />
M SMT 4 CH2OH<br />
M SVB 4 57 3.3097 -0.6593<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 48 49<br />
M SBL 3 1 53<br />
M SMT 3 CH2OH<br />
M SVB 3 53 -3.4121 0.0613<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 54 55<br />
M SBL 2 1 59<br />
M SMT 2 OCH3<br />
M SVB 2 59 2.0521 1.2965<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 50 51<br />
M SBL 1 1 55<br />
M SMT 1 OCH3<br />
M SVB 1 55 1.5589 3.061<br />
S SKP 8<br />
ID FL7AAIGL0008<br />
KNApSAcK_ID C00006744<br />
NAME Malvidin 3-sophoroside-5-glucoside<br />
CAS_RN 61811-04-9<br />
FORMULA C35H45O22<br />
EXACTMASS 817.240248124<br />
AVERAGEMASS 817.7186<br />
SMILES O[C@H](C(CO)1)[C@@H](O)[C@@H](O)[C@@H](OC(C(O)2)[C@H](Oc(c6)c([o+1]c(c64)cc(O)cc(O[C@H](O5)[C@H]([C@@H](O)[C@H](C5CO)O)O)4)c(c3)cc(OC)c(c(OC)3)O)O[C@H](CO)[C@H](O)2)O1<br />
M END<br />
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