Mol:FLID1CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 30 0 0 0 0 0 0 0 0999 V2000 -1.6809 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1246 1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5443 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -0.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 1.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 0.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 -0.4821 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 18 1 1 0 0 0 0 12 17 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FLID1CNI0001 KNApSAcK_ID C00009651 NAME Edunol;3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan CAS_RN 33909-74-9 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(C35)(c(OC3c(c(OC5)4)cc(c(O)c4)CC=C(C)C)1)cc(O2)c(OC2)c1 M END