Mol:FL7AACGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
61 66 0 0 0 0 0 0 0 0999 V2000
-3.1306 -0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGL0059
KNApSAcK_ID C00006830
NAME Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside)
CAS_RN 150447-30-6
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES c(c13)c(O)cc(c1cc(c(c(c4)cc(OC(C(O)6)OC(C(O)C(O)6)COC(=O)C=Cc(c5)cc(O)c(O)c5)c(O)c4)[o+1]3)OC(C2O)OC(C(C2O)O)COC(=O)CC(O)=O)O
M END
