Mol:FLIDHXNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -2.1515 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 1.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 1.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 1.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5952 2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 1.1058 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0737 1.4270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0737 2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 2.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 0.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 1.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 2.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -0.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2258 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 -1.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -2.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 0.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 0.4192 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 8 11 1 0 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 0 0 0 0 12 17 1 0 0 0 0 8 18 1 0 0 0 0 19 1 1 0 0 0 0 15 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 14 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 30 M SMT 1 OCH3 M SVB 1 30 2.0563 0.2129 S SKP 8 ID FLIDHXNI0008 KNApSAcK_ID C00010021 NAME Sphenostylin C;(6aS,11aS)-3,6a,8-Trihydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan CAS_RN 115610-57-6 FORMULA C21H24O7 EXACTMASS 388.152203122 AVERAGEMASS 388.41106 SMILES c(c1)(c(OC)c(CCC(C)(C)O)c(O2)c1C(C4)(O)C(c(c3O4)ccc(O)c3)2)O M END