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Mol:FL7AACGL0003 - Revision history
2026-07-05T18:25:19Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 49 50<br />
M SBL 1 1 54<br />
M SMT 1 ^CH2OH<br />
M SBV 1 54 -5.9790 3.9163<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 51 52<br />
M SBL 2 1 56<br />
M SMT 2 CH2OH<br />
M SBV 2 56 -5.4482 3.6332<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 53 54<br />
M SBL 3 1 58<br />
M SMT 3 ^CH2OH<br />
M SBV 3 58 -5.9790 3.9163<br />
S SKP 8<br />
ID FL7AACGL0003<br />
KNApSAcK_ID C00002377<br />
NAME Cyanidin 3,5,3'-triglucoside<br />
CAS_RN 88110-66-1<br />
FORMULA C33H41O21<br />
EXACTMASS 773.214033374<br />
AVERAGEMASS 773.66604<br />
SMILES OC(C(O)1)C(OC(Oc(c4)c([o+1]c(c6)c4c(cc6O)OC(C(O)5)OC(CO)C(O)C5O)c(c2)ccc(c2OC(C(O)3)OC(CO)C(O)C(O)3)O)C1O)CO<br />
M END<br />
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