Mol:FLID3CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.6809 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -0.1280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5443 0.1932 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5443 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -1.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 -0.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -0.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 0.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 2.6295 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 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 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 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -0.8466 1.7298 S SKP 8 ID FLID3CNI0001 KNApSAcK_ID C00009663 NAME Neoraucarpanol;3-Hydroxy-4-methoxy-8,9-methylenedioxy-2-prenylpterocarpan CAS_RN 63343-95-3 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES O(C35)c(c(C3COc(c54)c(c(O)c(CC=C(C)C)c4)OC)2)cc(c(c2)1)OCO1 M END