Mol:FL2FAANP0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 39 0 0 0 0 0 0 0 0999 V2000 -1.5739 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5322 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5096 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -0.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -1.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 -0.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 -0.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 0.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 1.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9365 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1101 1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6157 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0948 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9108 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 1.7706 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 16 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 1 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 5 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL2FAANP0007 KNApSAcK_ID C00008517 NAME Euchrenone a14 CAS_RN 150998-92-8 FORMULA C30H32O5 EXACTMASS 472.224974134 AVERAGEMASS 472.57208 SMILES c(c2)(C=1)c(ccc2C(C5)Oc(c(C5=O)4)c(CC=C(C)C)c(c(c(O)4)3)OC(C=C3)(C)C)OC(C)(C)C1 M END