Mol:FL7AAGGL0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
91 98 0 0 0 0 0 0 0 0999 V2000
-0.6321 0.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0061
KNApSAcK_ID C00014812
NAME Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside)
CAS_RN 799854-16-3
FORMULA C58H63O33
EXACTMASS 1287.325159542
AVERAGEMASS 1288.10102
SMILES OC(C1Oc(c(c(c8)cc(c(c(O)8)O)OC(O6)C(O)C(O)C(O)C6COC(C=Cc(c7)cc(c(O)c7OC)OC)=O)5)cc(c([o+1]5)2)c(O)cc(OC(O3)C(O)C(O)C(C3COC(=O)C=Cc(c4)cc(OC)c(O)c4OC)O)c2)C(O)C(O)C(O1)COC(=O)CC(O)=O
M END
