Mol:FLIHALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.4502 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 0.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2187 1.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9259 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3311 1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 1.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 -0.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6158 -0.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 2 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 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 14 17 1 0 0 0 0 9 18 2 0 0 0 0 12 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -1.3303 -0.1515 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.8074 1.5913 S SKP 8 ID FLIHALNI0001 KNApSAcK_ID C00009785 NAME Glycyrin;3-(2,4-Dihydroxyphenyl)-5,7-dimethoxy-6-prenylcoumarin CAS_RN 66056-18-6 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES C(=C2c(c3O)ccc(c3)O)c(c(OC)1)c(OC2=O)cc(OC)c1CC=C(C)C M END