Mol:FL7AAAGL0063
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
-1.2201 3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2201 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0063
KNApSAcK_ID C00014839
NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 448963-07-3
FORMULA C52H55O26
EXACTMASS 1095.298156932
AVERAGEMASS 1095.9775
SMILES C(=CC(=O)OCC(O2)C(C(O)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(c8)O)O)C(C7O)O)C2Oc(c5c(c6)ccc(c6)O)cc(c3[o+1]5)c(OC(C4O)OC(C(C(O)4)O)CO)cc(c3)O)O)c(c1)ccc(O)c(OC)1
M END
