Mrv0541 02241205262D 23 24 0 0 1 0 999 V2000 1.9819 -2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -1.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1313 -0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9752 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 0.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4448 -0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.0886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8357 1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3877 0.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 0.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0614 1.5011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8864 1.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6009 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0298 1.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3153 2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 2.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 2.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 2.8914 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 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 13 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > T3D1853 > t3db > C\C=C/CC1=C(C)[C@H](OC(=O)[C@H]2C(C)(C)[C@@H]2C=C(C)C)CC1=O > InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17-,18+/m1/s1 > FMTFEIJHMMQUJI-RWRPJIPASA-N > C20H28O3 > 316.4345 > 316.203844762 > 2 > 37.11093002741659 > 1 > 0 > 0 > 1 > (1R)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate > 5.06 > 4.442825472333334 > -4.30 > 0 > 2 > 0 > 18.088157413026774 > -5.95030907207775 > 43.370000000000005 > 94.3835 > 6 > 1 > 1.60e-02 g/l > (1R)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate > 0 > T3D1853 > Cinerin I > 25402-06-6 > Chrysanthemummonocarboxylic acid, cinerolone ester; Cinerin; Cinerolone, chrysanthemummonocarboxylic acid ester; Pyrethrin (cinerin I) > Organic Compound; Pesticide; Ether; Pyrethroid; Ester; Food Toxin; Pyrethrin; Household Toxin; Synthetic Compound $$$$