Mol:FLID1CNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.2357 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -0.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0105 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 -0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -2.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -1.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -2.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -3.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3883 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5165 1.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 2.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 2.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 3.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 1.0258 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 6 18 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 22 1 1 0 0 0 0 18 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 24 31 1 0 0 0 0 S SKP 8 ID FLID1CNI0002 KNApSAcK_ID C00009673 NAME Nitiducol;4-Geranyl-3-hydroxy-8,9-methylenedioxypterocarpan CAS_RN 66446-94-4 FORMULA C26H28O5 EXACTMASS 420.193674006 AVERAGEMASS 420.49752 SMILES c(c41)c(O5)c(OC5)cc1C(C3)C(O4)c(c(O3)2)ccc(c2CC=C(CCC=C(C)C)C)O M END