Mol:FL7AAAGL0058
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
-1.3659 2.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0058
KNApSAcK_ID C00014834
NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-caffeylglucoside)-5-glucoside;Ipomoea Red anthocyanin 4
CAS_RN 776278-54-7
FORMULA C51H53O26
EXACTMASS 1081.282506868
AVERAGEMASS 1081.95092
SMILES O(CC(O2)C(O)C(O)C(C(OC(C(Oc(c7)c(c(c8)ccc(c8)O)[o+1]c(c75)cc(O)cc5OC(O6)C(O)C(C(O)C6CO)O)3)C(O)C(C(COC(C=Cc(c4)cc(O)c(c4)O)=O)O3)O)2)O)C(=O)C=Cc(c1)ccc(O)c(O)1
M END
