Mol:FLIDBBNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 0.1585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 0.4797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0465 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1845 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7939 -0.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -1.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -1.5282 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 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.5796 -0.7344 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.5083 -0.0020 S SKP 8 ID FLIDBBNI0001 KNApSAcK_ID C00009659 NAME Edulenol;3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan CAS_RN 37706-55-1 FORMULA C22H24O5 EXACTMASS 368.162373878 AVERAGEMASS 368.42296000000005 SMILES c(c4)(c(c(OC)c(c4O)CC=C(C)C)3)OCC(C31)c(c2)c(cc(c2)OC)O1 M END
</pre>