Mol:FLNC29NS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 23 0 0 0 0 0 0 0 0999 V2000 -0.8446 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 0.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4213 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3975 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3975 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2018 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 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 3 17 1 0 0 0 0 17 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 21 22 M SBL 3 1 22 M SMT 3 OCH3 M SVB 3 22 -1.559 0.6689 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 19 20 M SBL 2 1 20 M SMT 2 OCH3 M SVB 2 20 -1.2018 1.78 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 1 18 M SMT 1 OCH3 M SVB 1 18 0.8446 1.4943 S SKP 8 ID FLNC29NS0004 KNApSAcK_ID C00010265 NAME (R)-2,4,5-Trimethoxydalbergiquinol CAS_RN 14753-80-1 FORMULA C18H20O3 EXACTMASS 284.141244506 AVERAGEMASS 284.3496 SMILES c(c(OC)1)(OC)cc(c([C@](c(c2)cccc2)([H])C=C)c1)OC M END