Mol:FL3F99NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.8158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0994 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5324 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9655 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 -0.5952 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 3 18 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.5303 -0.7222 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 1.8158 1.7079 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.696 -1.2954 S SKP 8 ID FL3F99NS0008 KNApSAcK_ID C00003814 NAME 5,6,3'-Trimethoxyflavone CAS_RN 17182-55-7 FORMULA C18H16O5 EXACTMASS 312.099773622 AVERAGEMASS 312.31664 SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=O M END