Mol:FL3FAANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.0717 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 1.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -2.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 2.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2115 2.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 2.4733 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 1 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 2 1 0 0 0 0 9 11 1 0 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 7 17 2 0 0 0 0 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 S SKP 8 ID FL3FAANI0006 KNApSAcK_ID C00013406 NAME Ephedroidin;(+)- 5,7-Dihydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 215596-01-3 FORMULA C20H18O6 EXACTMASS 354.110338308 AVERAGEMASS 354.35332 SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(=CC(=O)2)c(c1)ccc(O)c1 M END