Mrv1652304282205422D 17 17 0 0 0 0 999 V2000 1.4289 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 0.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 -1.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1589 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 2.1275 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 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 9 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 1 0 0 0 0 1 15 1 0 0 0 0 12 16 1 0 0 0 0 1 17 1 0 0 0 0 M END > NP0058346 > NP-MRD > C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O > InChI=1S/C15H22O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,16H,4-5,8-10H2,1-3H3/b11-7+,12-6+,14-13+ > OYONKNQJEXRUQZ-UPXYLJBOSA-N > C15H22O2 > 234.339 > 234.161979948 > 2 > 39 > 26.884324317071858 > 1 > 1 > 0 > 1 > (3E,7E,10E)-10-(1-hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one > 3.01 > 2.829880913666667 > -3.13 > 0 > 1 > 0 > 16.27559648431211 > 15.061424189045628 > -2.7527381815689447 > 37.3 > 73.5567 > 1 > 1 > 1.75e-01 g/l > (3E,7E,10E)-10-(1-hydroxypropan-2-ylidene)-3,7-dimethylcyclodeca-3,7-dien-1-one > 1 > NP0058346 > (E,E,E)-10-(2-Hydroxy-1-methylethylidene)-3,7-dimethyl-3,7-cyclodecadien-1-one $$$$