Mol:FL5F1CNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.9052 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4615 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0176 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 0.5189 -0.9193 S SKP 8 ID FL5F1CNP0001 KNApSAcK_ID C00005082 NAME Pongachromene;3-Methoxy-8,8-dimethyl-2-[3,4-(methylenedioxy)phenyl]-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;2-(1,3-Benzodioxol-5-yl)-3-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one CAS_RN 22037-31-6 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(c54)c(ccc4OCO5)C(=C1OC)Oc(c32)c(ccc2OC(C=C3)(C)C)C1=O M END
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