Mol:FLID2CNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 28 0 0 0 0 0 0 0 0999 V2000 -2.1566 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 -0.2761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0686 0.0451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0686 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8142 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4819 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2122 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0139 2.1722 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 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 2 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 -2.5139 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 -2.8711 0.1365 S SKP 8 ID FLID2CNS0004 KNApSAcK_ID C00009629 NAME 2-Methoxypterocarpin;2,3-Dimethoxy-8,9-methylenedioxypterocarpan CAS_RN 30461-93-9 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c45)c(O3)c(cc4OCO5)C(C32)COc(c12)cc(c(c1)OC)OC M END