Mol:FL63ACGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -0.2099 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 0.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 2.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 0.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 2.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -0.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 2.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -1.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -2.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 -2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 -1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -1.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 -1.4426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -2.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 -2.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3648 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -1.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6763 -2.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0662 -1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5239 -1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9854 -2.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 -2.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2946 -2.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 4 17 1 0 0 0 0 18 15 1 0 0 0 0 8 19 1 6 0 0 0 14 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 6 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 30 38 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 29 33 1 0 0 0 0 S SKP 8 ID FL63ACGS0025 KNApSAcK_ID C00013252 NAME Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate;(2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-5-yl beta-D-glucopyranoside CAS_RN 323586-47-6 FORMULA C28H28O12 EXACTMASS 556.15807636 AVERAGEMASS 556.51472 SMILES C(C5O)(O)C(OC(C5O)Oc(c4)c(C1)c(cc4O)OC(c(c3)cc(c(c3)O)O)C1OC(c(c2)cccc2)=O)CO M END