Mol:FL3FGANS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -0.9798 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8828 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2932 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -4.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -4.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6102 -4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -5.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -1.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.8071 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.5983 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -1.0494 1.0455 S SKP 8 ID FL3FGANS0003 KNApSAcK_ID C00003876 NAME Desmethoxysudachitin;5,7,4'-Trihydroxy-6,8-dimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 4323-80-2 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)ccc(O)c2)c(OC)1 M END
</pre>