Mol:FLIDWXNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 27 0 0 0 0 0 0 0 0999 V2000 -2.2358 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1232 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -0.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1403 -0.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 -1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 -0.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 2.3436 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 8 11 1 0 0 0 0 11 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -1.4015 1.4439 S SKP 8 ID FLIDWXNS0005 KNApSAcK_ID C00009697 NAME 3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene CAS_RN 56296-88-9 FORMULA C17H12O6 EXACTMASS 312.063388116 AVERAGEMASS 312.27358 SMILES COc(c(O)5)c(O4)c(cc5)c(o1)c(C4)c(c2)c(cc(O3)c(OC3)2)1 M END