Mol:FL3FACNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.1816 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 0.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -1.4576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 1.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 -0.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 -1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9716 -1.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -1.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3005 -0.1354 0.0000 O 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 15 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 21 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 3 27 1 0 0 0 0 16 28 1 0 0 0 0 22 29 2 0 0 0 0 S SKP 8 ID FL3FACNR0001 KNApSAcK_ID C00004095 NAME Demethyltorosaflavone C;cis-(+-)-2-(3,4-Dihydroxyphenyl)-5b,8a-dihydro-5,7-dihydroxy-6-methyl-4H,8H-cyclopenta[4,5]furo[3,2-g]-1-benzopyran-4,8-dione CAS_RN 145194-15-6 FORMULA C21H14O8 EXACTMASS 394.068867424 AVERAGEMASS 394.33106 SMILES c(c5)c(cc(c(O)5)O)C(=C4)Oc(c(C(=O)4)1)cc(O3)c(C(C32)C(=C(C2=O)O)C)c1O M END