Mrv1652309272007402D 17 19 0 0 0 0 999 V2000 9998.906510001.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.757510000.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.7427 9999.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9998.9065 9998.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.1924 9998.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.6205 9998.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.0312 9999.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9998.906510001.0466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9998.192010000.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.1920 9999.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.9065 9999.3966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.6210 9999.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10000.330610000.2252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.616210000.6377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9999.616210001.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.045110001.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.045110000.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 8 1 1 1 0 0 0 12 7 1 6 0 0 0 11 4 1 6 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 14 15 1 6 0 0 0 13 3 1 1 0 0 0 17 2 1 0 0 0 0 8 14 1 0 0 0 0 12 14 1 0 0 0 0 12 13 1 0 0 0 0 M END > <DATABASE_ID> CDB000109 > <DATABASE_NAME> CDB > <SMILES> [H][C@]12[C@@H](CC[C@@H](C)[C@]11CC=C(C)[C@]21[H])C(C)C > <INCHI_IDENTIFIER> InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1 > <INCHI_KEY> XUEHVOLRMXNRKQ-KHMAMNHCSA-N > <FORMULA> C15H24 > <MOLECULAR_WEIGHT> 204.357 > <EXACT_MASS> 204.187800773 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 39 > <JCHEM_AVERAGE_POLARIZABILITY> 26.162179830268414 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 1 > <JCHEM_IUPAC> (1R,5S,6R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^{1,5}]dec-3-ene > <ALOGPS_LOGP> 3.88 > <JCHEM_LOGP> 4.0881301626666655 > <ALOGPS_LOGS> -5.05 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 65.76790000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.84e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,5S,6R,7S,10R)-7-isopropyl-4,10-dimethyltricyclo[4.4.0.0^{1,5}]dec-3-ene > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB000109 > <GENERIC_NAME> alpha-Cubebene $$$$