Mol:FL7AACGL0108
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
0.6351 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGL0108
KNApSAcK_ID C00014764
NAME Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside)
CAS_RN 215176-97-9
FORMULA C42H47O24
EXACTMASS 935.245727432
AVERAGEMASS 935.80818
SMILES C(C1O)(C(O)C(Oc(c2)c(ccc2c([o+1]3)c(OC(O7)C(O)C(O)C(O)C7CO)cc(c(O)4)c(cc(OC(C(O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(O)c(O)c5)=O)c4)3)O)OC1CO)O
M END
