Mol:FL63AAGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.9540 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 2.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 1.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 1.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -0.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -1.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9434 -0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1133 -0.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -0.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 -1.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 -2.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -1.2627 0.0000 C 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 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 1 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 19 1 0 0 0 0 S SKP 8 ID FL63AAGS0005 KNApSAcK_ID C00008834 NAME Afzelechin 3-O-alpha-L-rhamnopyranoside CAS_RN 142741-31-9 FORMULA C21H24O9 EXACTMASS 420.14203236599997 AVERAGEMASS 420.40986 SMILES c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(O)C(O)C(C)3)1)Oc(c2)c(c(cc(O)2)O)C1 M END