Mol:FL7AAGGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAGGL0001
KNApSAcK_ID C00002379
NAME Gentiodelphin;Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)
CAS_RN 84331-34-0
FORMULA C51H53O28
EXACTMASS 1113.272336112
AVERAGEMASS 1113.94972
SMILES c(c(O)1)(O)c(OC(C7O)OC(COC(C=Cc(c8)cc(O)c(O)c8)=O)C(C7O)O)cc(c([o+1]3)c(cc(c4OC(O5)C(C(C(C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)c3cc(c4)O)OC(C2O)OC(C(C2O)O)CO)c1
M END
