Mrv1652304282210522D 16 18 0 0 1 0 999 V2000 -0.2335 0.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3477 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 -1.0245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9913 -0.4196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5965 0.3517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2530 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 0.5657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5777 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 -0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5459 1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 1 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 4 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 4 11 1 0 0 0 0 9 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 3 15 1 6 0 0 0 1 16 1 6 0 0 0 M END > NP0064683 > NP-MRD > C[C@@H]1C[C@H](O)[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3C > InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h5,10-13,16H,6-8H2,1-4H3/t10-,11+,12+,13+,15+/m1/s1 > OBSHMGYCMVPNRU-MCZMQQNQSA-N > C15H24O > 220.356 > 220.182715393 > 1 > 40 > 26.499338546553645 > 1 > 1 > 0 > 1 > (1S,2R,4S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-en-4-ol > 3.63 > 2.792393389333333 > -3.32 > 0 > 3 > 0 > -0.5404076270298378 > 20.23 > 67.2869 > 0 > 1 > 1.05e-01 g/l > (1S,2R,4S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undec-8-en-4-ol > 1 > NP0064683 > alpha-Biotol $$$$