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Mol:FL7AAIGL0007 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 56 57<br />
M SBL 3 1 61<br />
M SMT 3 CH2OH<br />
M SVB 3 61 -0.5967 -1.2531<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 1.4025 1.5702<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 52 53<br />
M SBL 1 1 57<br />
M SMT 1 OCH3<br />
M SVB 1 57 0.9094 3.3346<br />
S SKP 8<br />
ID FL7AAIGL0007<br />
KNApSAcK_ID C00006743<br />
NAME Malvidin 3-gentiotrioside<br />
CAS_RN -<br />
FORMULA C35H45O22<br />
EXACTMASS 817.240248124<br />
AVERAGEMASS 817.7186<br />
SMILES [C@H](OCC([C@@H]6O)O[C@H]([C@H]([C@@H](O)6)O)OC[C@@H](O2)[C@H](O)C(O)C([C@@H]2Oc(c3)c(c(c5)cc(OC)c(c(OC)5)O)[o+1]c(c4)c3c(cc(O)4)O)O)(O1)[C@H]([C@@H](O)[C@H](C1CO)O)O<br />
M END<br />
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