Mol:FL2FAANI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0238 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0238 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0888 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7995 -0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -1.4481 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 14 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FAANI0011 KNApSAcK_ID C00008273 NAME Bonannione A CAS_RN 97126-57-3 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c(O)1)(c(O)c(C2=O)c(OC(c(c3)ccc(c3)O)C2)c1)CC=C(C)CCC=C(C)C M END