Mol:FL7AAAGL0065
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
-2.6860 3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0065
KNApSAcK_ID C00014841
NAME Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 448963-09-5
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES c(c1OC(C(O)8)OC(CO)C(O)C8O)c(O)cc([o+1]2)c(cc(OC(C(OC(C6OC(=O)C=Cc(c7)cc(c(O)c7)OC)OC(C(O)C6O)CO)5)OC(C(C5O)O)COC(C=Cc(c4)cc(c(c4)O)OC)=O)c2c(c3)ccc(O)c3)1
M END
