Mrv1652304282210542D 16 18 0 0 1 0 999 V2000 -0.5066 -1.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2541 -1.3804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8666 -0.7914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4129 -0.0379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4111 -0.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4165 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6894 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1253 -0.0522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4805 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5622 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 1.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 -2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -1.4561 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 4 5 1 6 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 3 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 2 15 1 1 0 0 0 1 16 1 6 0 0 0 M END > NP0064721 > NP-MRD > C[C@H]1[C@H](O)C[C@@H]2C(=C)C(C)(C)[C@@H]3CC[C@]12C3 > InChI=1S/C15H24O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1 > JZLOTPMXLYBVOH-BGPZULBFSA-N > C15H24O > 220.356 > 220.182715393 > 1 > 40 > 26.38211085836383 > 1 > 1 > 0 > 1 > (1R,2R,3R,5S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.0^{1,5}]undecan-3-ol > 3.51 > 2.850327059666667 > -3.92 > 0 > 3 > 0 > 19.253265988336288 > -0.9384214567017074 > 20.23 > 66.2144 > 0 > 1 > 2.64e-02 g/l > (1R,2R,3R,5S,8R)-2,7,7-trimethyl-6-methylidenetricyclo[6.2.1.0^{1,5}]undecan-3-ol > 1 > NP0064721 > Zizanol $$$$