Mol:FLIAEANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.7195 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6069 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4943 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2513 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7195 0.7820 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 1 0 0 0 0 8 9 2 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 ^OCH3 M SBV 1 28 -7.2043 6.4362 S SKP 8 ID FLIAEANI0001 KNApSAcK_ID C00009826 NAME Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone CAS_RN 87457-87-2 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES COc(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(OCC=C(C)C)c2)=O M END