Mol:FLIDHYNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 28 0 0 0 0 0 0 0 0999 V2000 -2.3353 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1101 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1101 0.6874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6664 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0408 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6646 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 2.1723 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 -2.6925 1.3062 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 0.446 1.0085 S SKP 8 ID FLIDHYNS0002 KNApSAcK_ID C00010005 NAME 6-Methoxypterocarpin;(6S,6aS,11aR)-3,6-Dimethoxy-8,9-methylenedioxypterocarpan CAS_RN 90686-10-5 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c45)c(O1)c(cc4OCO5)C(C3OC)C1c(c(O3)2)ccc(OC)c2 M END