Mol:FLNC28NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -1.0401 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2258 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0919 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8972 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 0.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 5 16 1 1 0 0 0 15 17 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 23 M SMT 3 OCH3 M SVB 3 23 -1.7545 0.6689 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 -1.3973 1.78 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 0.6491 1.4943 S SKP 8 ID FLNC28NS0002 KNApSAcK_ID C00010259 NAME 5-O-Methyllatifolin;(R)-2'-Hydroxy-2,4,5-trimethoxydalbergiquinol CAS_RN 18525-14-9 FORMULA C18H20O4 EXACTMASS 300.136159128 AVERAGEMASS 300.349 SMILES c(c2OC)(OC)cc(c(c2)[C@](c(c1)c(O)ccc1)([H])C=C)OC M END