Mol:FLICALNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0421 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -1.6763 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 3 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.0247 -0.8826 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.0632 -0.1502 S SKP 8 ID FLICALNS0002 KNApSAcK_ID C00009718 NAME 5-Methoxyvestitol;7,2'-Dihydroxy-5,4'-dimethoxyisoflavan CAS_RN 73354-16-2 FORMULA C17H18O5 EXACTMASS 302.115423686 AVERAGEMASS 302.32182 SMILES COc(c3)cc(O)c(c3)C(C2)Cc(c(OC)1)c(O2)cc(O)c1 M END