Mrv1652304282205352D 17 17 0 0 0 0 999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 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 1 0 0 0 0 12 16 1 0 0 0 0 1 17 1 0 0 0 0 M END > NP0058233 > NP-MRD > C\C(=C/CO)\C=C\C1=C(C)C(=O)CCC1(C)C > InChI=1S/C15H22O2/c1-11(8-10-16)5-6-13-12(2)14(17)7-9-15(13,3)4/h5-6,8,16H,7,9-10H2,1-4H3/b6-5+,11-8+ > BVUBYYWRFBEIET-BXROQLSZSA-N > C15H22O2 > 234.339 > 234.161979948 > 2 > 39 > 27.64299680112966 > 1 > 1 > 0 > 1 > 3-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one > 3.38 > 2.729017193333333 > -3.15 > 0 > 1 > 0 > 19.890453984974247 > 16.435617235981326 > -2.1707943293820318 > 37.3 > 73.6974 > 3 > 1 > 1.64e-01 g/l > 3-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one > 1 > NP0058233 > Apotrisporin $$$$