Mol:FL2F1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -1.5299 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5299 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5537 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -2.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -1.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6084 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 -0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6013 2.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 0.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 0.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 -0.1057 0.0000 O 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 15 18 1 0 0 0 0 5 19 1 0 0 0 0 20 6 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 2 0 0 0 0 17 30 1 0 0 0 0 S SKP 8 ID FL2F1LNI0001 KNApSAcK_ID C00008400 NAME Lehmannin CAS_RN 112613-52-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c3)(O)c(CC(C(C)=C)CC=C(C)C)c(c1c3)OC(c(c2)c(O)cc(O)c2)CC1=O M END