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Mol:FL7ARXGL0003 - 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 36 37<br />
M SBL 4 1 39<br />
M SMT 4 CH2OH<br />
M SVB 4 39 2.8497 -2.114<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 28 29<br />
M SBL 3 1 31<br />
M SMT 3 OCH3<br />
M SVB 3 31 2.6733 0.5791<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 25 26<br />
M SBL 2 1 28<br />
M SMT 2 OCH3<br />
M SVB 2 28 1.5275 2.5724<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 21 22 23<br />
M SBL 1 1 24<br />
M SMT 1 COOH<br />
M SVB 1 24 -1.3533 -2.692<br />
S SKP 8<br />
ID FL7ARXGL0003<br />
KNApSAcK_ID C00011186<br />
NAME Malvidin 3-glucoside-pyruvate<br />
CAS_RN 388089-38-1<br />
FORMULA C26H25O14<br />
EXACTMASS 561.124430508<br />
AVERAGEMASS 561.4683<br />
SMILES c(O)(c(OC)1)c(OC)cc(c(c4O[C@@H](C5O)O[C@H](CO)[C@@H](C(O)5)O)[o+1]c(c3)c(c42)c(cc3O)OC(C(O)=O)=C2)c1<br />
M END<br />
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