Mol:FL3FEGNS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.9351 -1.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -0.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6852 0.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -0.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7934 0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9801 1.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 0.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 0.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 -2.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 -0.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 2.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 -1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5575 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5457 0.1446 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 14 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 16 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 1.5693 1.7424 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 -2.7769 -0.6877 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 2.0624 -0.022 S SKP 8 ID FL3FEGNS0004 KNApSAcK_ID C00003944 NAME 5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one;6-Methoxytricin CAS_RN 76015-42-4 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c1O)(OC)cc(C(O2)=CC(c(c3O)c2cc(c3OC)O)=O)cc1OC M END
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