Mol:FLIAAANP0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4425 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 0.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -0.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9053 0.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 2.1218 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 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 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 14 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0014 KNApSAcK_ID C00009943 NAME Euchrenone b8 CAS_RN 130170-04-6 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES c(c31)(c(c(O4)c(C=CC4(C)C)c3O)CC(C(C)=C)O)OC=C(c(c2)ccc(c2)O)C1=O M END