12302134 CDK 0128212310 18 19 0 0 0 0 0 0 0 0999 V2000 2.1554 1.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6415 0.2688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4209 0.5240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9940 0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 0.5924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6457 -0.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9057 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4275 -0.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6733 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 1.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 0.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 6 0 0 0 3 7 1 0 0 0 0 3 13 1 1 0 0 0 4 5 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 6 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 M END > CHEBI:167421 > Bulnesol > 2 > 2-[(3S,3aS,5R)-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl]propan-2-ol > C15H26O > 222.372 > 222.19837 > 0 > OC([C@]1(C[C@]2([C@H](CCC2=C(CC1)C)C)[H])[H])(C)C > InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3/t11-,12+,14-/m0/s1 > LGOFSGDSFQNIAT-SCRDCRAPSA-N $$$$