Mol:FL7AAAGL0055
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
-1.1145 4.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0055
KNApSAcK_ID C00014025
NAME Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 185027-89-8
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES c(c1)(ccc(c([o+1]4)c(OC(O5)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(O)c8)OC)C(O)C7O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c(OC)6)5)O)O)cc(c24)c(OC(C3O)OC(C(C(O)3)O)CO)cc(c2)O)c1)O
M END
