Mol:FLIG1LNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.8431 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 -0.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 0.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 0.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1278 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -1.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 0.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 -1.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9104 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5046 2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -2.5244 0.0000 O 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 15 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 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 13 32 1 0 0 0 0 S SKP 8 ID FLIG1LNI0005 KNApSAcK_ID C00010069 NAME Euchretin B CAS_RN 125002-85-9 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES c(O)(c4)c(O)c(c(c43)oc(c32)Oc(c1C(=O)2)c(c(O)cc1O)CC=C(C)C)CC=C(C)C M END