Mol:FL3FAENF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 0.0022 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 1.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7122 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 1.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 0.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9033 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 0.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8566 -1.2684 0.0000 H 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 21 2 0 0 0 0 20 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 9 1 0 0 0 0 5 15 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 11 18 1 0 0 0 0 4 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 23 27 1 0 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 24 31 1 1 0 0 0 23 32 1 1 0 0 0 S SKP 8 ID FL3FAENF0001 KNApSAcK_ID C00013454 NAME Torosaflavone C;(5bR,8aS)-rel-4H,5b,8a-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methyl-8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione CAS_RN 144049-86-5 FORMULA C22H16O8 EXACTMASS 408.08451748799996 AVERAGEMASS 408.35764000000006 SMILES OC(=C(C)5)C(C(C45[H])([H])Oc(c41)cc(O2)c(C(C=C2c(c3)ccc(c3O)OC)=O)c1O)=O M END