Mol:FL7AAAGL0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
-1.3659 2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4920 2.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2686 4.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0061
KNApSAcK_ID C00014837
NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-p-coumaroyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-p-coumarylglucoside)-5-glucoside
CAS_RN 448963-06-2
FORMULA C51H53O25
EXACTMASS 1065.287592246
AVERAGEMASS 1065.95152
SMILES C(C8O)(O)C(OC(C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)OC(C6O)C(OC(C6O)COC(=O)C=Cc(c5)ccc(O)c5)Oc(c3c(c4)ccc(c4)O)cc(c([o+1]3)1)c(OC(O2)C(O)C(C(O)C2CO)O)cc(O)c1
M END
