Mol:FL7AAGGL0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
87 94 0 0 0 0 0 0 0 0999 V2000
-0.5200 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0042
KNApSAcK_ID C00014787
NAME Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside)
CAS_RN 379232-04-9
FORMULA C56H59O31
EXACTMASS 1227.30403017
AVERAGEMASS 1228.04906
SMILES C(C8O)(OC(C(C8O)OC(O6)C(O)C(O)C(O)C(COC(=O)C=Cc(c7)cc(OC)c(c7)O)6)Oc(c4)c(c(c5)cc(O)c(O)c(O)5)[o+1]c(c42)cc(cc2OC(O3)C(O)C(C(C(COC(=O)CC(O)=O)3)O)O)O)COC(C=Cc(c1)cc(c(O)c1)OC)=O
M END
