Mol:FL3FALNI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 2.1226 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 -0.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5515 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 1.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -2.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 1.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 1.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 1.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 2.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 1.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 1.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2838 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4094 2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7009 0.8099 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 1 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 2 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 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 12 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 25 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 24 33 1 0 0 0 0 28 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 S SKP 8 ID FL3FALNI0012 KNApSAcK_ID C00013411 NAME Moralbanone;2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-4H-1-benzopyran-4-one CAS_RN 554403-01-9 FORMULA C30H34O6 EXACTMASS 490.23553882 AVERAGEMASS 490.58736000000005 SMILES c(c12)(c(cc(c1C(C=C(c(c3)c(O)cc(c3)O)O2)=O)O)O)CC=C(C)CCC=C(C)CCC=C(C)C M END