Mol:FL7AAAGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
78 85 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 FL7AAAGL0059
KNApSAcK_ID C00014835
NAME Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-caffeoyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-caffeylglucoside)-5-glucoside
CAS_RN 448963-05-1
FORMULA C52H55O26
EXACTMASS 1095.298156932
AVERAGEMASS 1095.9775
SMILES C(C(=O)OCC(O2)C(C(C(O)C2OC(C(Oc(c(c(c8)ccc(O)c8)5)cc(c(OC(C7O)OC(CO)C(C7O)O)6)c(cc(O)c6)[o+1]5)3)C(O)C(C(COC(=O)C=Cc(c4)ccc(O)c4O)O3)O)O)O)=Cc(c1)cc(c(O)c1)OC
M END
