Mrv0541 05061308462D 17 17 0 0 0 0 999 V2000 3.5724 -0.4125 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 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 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 2.1434 1.2375 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 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 2.2539 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 11 5 1 0 0 0 0 11 6 2 0 0 0 0 12 2 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 14 12 1 0 0 0 0 15 3 1 0 0 0 0 15 4 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 M END > NP0329953 > NP-MRD > CC1CCC(CC\C(C)=C/CC1=O)C(C)(C)O > InChI=1S/C15H26O2/c1-11-5-8-13(15(3,4)17)9-7-12(2)14(16)10-6-11/h6,12-13,17H,5,7-10H2,1-4H3/b11-6- > DWMJDYZSFOSGLA-WDZFZDKYSA-N > C15H26O2 > 238.3657 > 238.193280076 > 2 > 28.541880507889097 > 1 > 1 > 0 > 1 > (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one > 3.55 > 3.316340720666666 > -3.19 > 0 > 1 > 0 > 19.371951581661992 > 16.1833318786307 > -0.8865082682553459 > 37.3 > 72.08179999999999 > 1 > 1 > 1.54e-01 g/l > (3Z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one > 1 > NP0329953 > (3z)-7-(2-hydroxypropan-2-yl)-4,10-dimethylcyclodec-3-en-1-one $$$$