Mol:FL7AAAGL0062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
-1.2201 2.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0062
KNApSAcK_ID C00014838
NAME Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside
CAS_RN 185027-87-6
FORMULA C43H49O23
EXACTMASS 933.266462874
AVERAGEMASS 933.83536
SMILES c(O)(c2)cc(c(c4)c([o+1]c(c4OC(C5OC(C(O)7)OC(C(O)C7O)CO)OC(COC(=O)C=Cc(c6)cc(OC)c(c6)O)C(C(O)5)O)c(c3)ccc(O)c3)2)OC(C1O)OC(CO)C(C1O)O
M END
