Mol:FLIG1LNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -2.0473 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 -1.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3352 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7088 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -2.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -2.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7132 -1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 -1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 9 19 1 0 0 0 0 19 16 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 6 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 13 27 1 0 0 0 0 2 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 18 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 15 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FLIG1LNP0002 KNApSAcK_ID C00010072 NAME Euchretin A CAS_RN 119459-83-5 FORMULA C30H30O7 EXACTMASS 502.199153314 AVERAGEMASS 502.55500000000006 SMILES c(O)(c(CC=C(C)C)5)c(c(c(c5O)4)Oc(o3)c(C4=O)c(c31)cc(O)c(O2)c(C=CC(C)(C)2)1)CC=C(C)C M END