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Mol:FL7AACGL0055 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 61 62<br />
M SBL 2 1 66<br />
M SMT 2 OCH3<br />
M SVB 2 66 1.1477 -0.481<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 57 58 60<br />
M SBL 1 1 62<br />
M SMT 1 COOH<br />
M SVB 1 62 -4.2681 0.3166<br />
S SKP 8<br />
ID FL7AACGL0055<br />
KNApSAcK_ID C00006826<br />
NAME Cyanidin 3-(6''-ferulylglucoside)-5-(6'''-malonylglucoside)<br />
CAS_RN 123453-03-2<br />
FORMULA C40H41O22<br />
EXACTMASS 873.208947996<br />
AVERAGEMASS 873.7403400000001<br />
SMILES c(c6)(c(cc(c6)C=CC(OC[C@H]([C@H](O)5)O[C@H](C(O)C(O)5)Oc(c3c(c4)cc(c(O)c4)O)cc(c([o+1]3)1)c(O[C@H](O2)[C@H]([C@@H](O)[C@H](C(COC(=O)CC(O)=O)2)O)O)cc(O)c1)=O)OC)O<br />
M END<br />
</pre></div>
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