Mol:FL6DBANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6372 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1441 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6372 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8448 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4891 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7746 -1.4483 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 1 1 0 0 0 8 18 1 1 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 14 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -7.3625 3.8259 S SKP 8 ID FL6DBANP0001 KNApSAcK_ID C00009028 NAME 4beta-Hydroxyobovatachromene CAS_RN 76265-10-6 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c4)c(ccc(O)4)C(O3)C(C(c(c31)c(cc(O2)c1C=CC(C)(C)2)OC)O)O M END