Mol:FL5F19NP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -1.4014 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 0.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2675 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -0.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5138 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 0.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9577 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6898 -1.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -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 8 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 1.0226 -0.9193 S SKP 8 ID FL5F19NP0001 KNApSAcK_ID C00005072 NAME Karanjachromene;Pongaflavone;3-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one CAS_RN 38070-93-8 FORMULA C21H18O4 EXACTMASS 334.120509064 AVERAGEMASS 334.36521999999997 SMILES COC(C(=O)2)=C(Oc(c34)c2ccc(OC(C=C4)(C)C)3)c(c1)cccc1 M END
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