Mol:FLIC1LNP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.7472 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7472 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 0.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 -0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 0.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 0.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 -1.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6289 -0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 0.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -1.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7472 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3033 2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8769 1.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 -1.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -1.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -2.1345 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 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 12 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 17 1 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 13 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SBV 1 28 -6.0998 3.9429 S SKP 8 ID FLIC1LNP0007 KNApSAcK_ID C00009730 NAME 3'-Methoxyglabridin CAS_RN 74046-05-2 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c1O)c(ccc1C(C4)Cc(c3)c(O4)c(c(c3)2)C=CC(C)(C)O2)O M END