Mol:FL7AAGGL0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
85 92 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 FL7AAGGL0041
KNApSAcK_ID C00014786
NAME Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside)
CAS_RN 379232-02-7
FORMULA C55H57O30
EXACTMASS 1197.293465484
AVERAGEMASS 1198.02308
SMILES O(C5COC(C=Cc(c8)ccc(O)c8)=O)C(C(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c(OC)7)=O)C(O)C6O)C(C5O)O)Oc(c3)c(c(c4)cc(O)c(O)c4O)[o+1]c(c13)cc(O)cc1OC(C(O)2)OC(C(C(O)2)O)COC(CC(O)=O)=O
M END
