Mrv1533004171504152D 17 18 0 0 0 0 999 V2000 -0.8543 2.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0473 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 2.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 1.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8388 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0659 0.1501 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 6 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > NP0281696 > NP-MRD > CC(=O)CCC1C2C(=O)CCC2(C)CC1(C)C > InChI=1S/C15H24O2/c1-10(16)5-6-11-13-12(17)7-8-15(13,4)9-14(11,2)3/h11,13H,5-9H2,1-4H3 > GTUMAHOVZNSHNI-UHFFFAOYSA-N > C15H24O2 > 236.355 > 236.177630013 > 2 > 41 > 27.525741542282336 > 1 > 0 > 0 > 1 > 3a,5,5-trimethyl-6-(3-oxobutyl)-octahydropentalen-1-one > 2.53 > 2.9271272569999995 > -3.44 > 0 > 2 > 0 > 19.46390110373691 > -7.041086996201352 > 34.14 > 68.0342 > 3 > 1 > 8.60e-02 g/l > 3a,5,5-trimethyl-6-(3-oxobutyl)-tetrahydro-2H-pentalen-1-one > 1 > NP0281696 > 3a,5,5-trimethyl-6-(3-oxobutyl)-tetrahydro-2h-pentalen-1-one $$$$