Mol:FL63ACNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.7719 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 0.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 0.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7588 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2444 1.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 0.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2714 -1.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7076 -0.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 4 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 5 1 0 0 0 0 9 11 1 0 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 13 20 1 0 0 0 0 3 21 1 0 0 0 0 8 22 1 1 0 0 0 8 23 1 6 0 0 0 S SKP 8 ID FL63ACNS0001 KNApSAcK_ID C00000947 NAME (+)-Catechin;D-Catechin;(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol;Dexcyanidanol;Teafuran 30A;D-Catechol CAS_RN 154-23-4 FORMULA C15H14O6 EXACTMASS 290.07903818 AVERAGEMASS 290.26806 SMILES Oc(c3)cc(O1)c(c(O)3)CC([H])(O)C([H])1c(c2)cc(O)c(O)c2 M END