Mrv1652309082223272D 18 20 0 0 1 0 999 V2000 1.7689 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 0.5893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7453 0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 0.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 1.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8983 1.9219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4536 1.2269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6331 1.1413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0545 1.7295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1536 2.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8558 2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 2.7028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8936 3.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0274 2.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3155 0.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 6 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 14 15 1 0 0 0 0 9 16 1 0 0 0 0 8 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > NP0274165 > NP-MRD > C[C@H]1[C@@H]2[C@H]3[C@@H](CC[C@@](O)(CO)[C@H]2CC1=O)C3(C)C > InChI=1S/C15H24O3/c1-8-11(17)6-10-12(8)13-9(14(13,2)3)4-5-15(10,18)7-16/h8-10,12-13,16,18H,4-7H2,1-3H3/t8-,9-,10+,12+,13-,15-/m1/s1 > YKEHNOIZROQZFO-ZQRLFWNOSA-N > C15H24O3 > 252.354 > 252.172544633 > 3 > 42 > 28.35785906067685 > 1 > 2 > 0 > 1 > (1aS,1bR,2S,4aS,5S,7aR)-5-hydroxy-5-(hydroxymethyl)-1,1,2-trimethyl-decahydro-1H-cyclopropa[e]azulen-3-one > 1.2083419090000005 > 0 > 3 > 0 > 15.303923013518393 > 13.678898791616966 > -3.075856892730201 > 57.53 > 68.81099999999999 > 1 > 1 > (1aS,1bR,2S,4aS,5S,7aR)-5-hydroxy-5-(hydroxymethyl)-1,1,2-trimethyl-octahydrocyclopropa[e]azulen-3-one > 0 > NP0274165 > (1ar,4s,4as,7s,7ar,7bs)-4-hydroxy-4-(hydroxymethyl)-1,1,7-trimethyl-octahydrocyclopropa[e]azulen-6-one $$$$