Mol:FL4DALNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 41 0 0 0 0 0 0 0 0999 V2000 -0.4155 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0134 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -2.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 -2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9775 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6863 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1039 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3951 -2.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 1.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1039 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9592 -1.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 1.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1568 -1.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 2.4745 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 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 9 13 1 6 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 6 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 14 32 1 0 0 0 0 18 33 1 0 0 0 0 8 34 1 1 0 0 0 5 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 S SKP 8 ID FL4DALNI0003 KNApSAcK_ID C00008645 NAME Kenusanone C CAS_RN 144180-17-6 FORMULA C31H38O8 EXACTMASS 538.256668192 AVERAGEMASS 538.62862 SMILES O=C(c21)C(O)C(c(c(O)3)c(O)cc(OC)c3)Oc(c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)CCC=C(C)C)1 M END