Mrv1652306101918012D 40 39 0 0 0 0 999 V2000 10012.361610007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10011.646110007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.932610007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.217210007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.503710007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.788210007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.072710007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.358710007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.643910007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.927110007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.212310007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.497710007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.783010007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.068310007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.353410007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.638810007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.924010007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.209410007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.494510007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.779910007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.065110007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.350510007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.635810007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.350510008.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10000.209410008.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.068310008.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.927110008.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.503710006.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10013.077110007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10013.790510007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10014.506110007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.221510007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.935010007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10016.650510007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10017.364010007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10018.079410007.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10018.797010007.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10018.079410006.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10015.221510006.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10012.361610006.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 39 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > <DATABASE_ID> FDB030667 > <DATABASE_NAME> foodb > <SMILES> CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C > <INCHI_IDENTIFIER> InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ > <INCHI_KEY> YVLPJIGOMTXXLP-KEKOKYSKSA-N > <FORMULA> C40H64 > <MOLECULAR_WEIGHT> 544.9362 > <EXACT_MASS> 544.500802048 > <JCHEM_ACCEPTOR_COUNT> 0 > <JCHEM_ATOM_COUNT> 104 > <JCHEM_AVERAGE_POLARIZABILITY> 74.94916298225037 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene > <ALOGPS_LOGP> 9.60 > <JCHEM_LOGP> 13.379518445999997 > <ALOGPS_LOGS> -6.23 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_POLAR_SURFACE_AREA> 0.0 > <JCHEM_REFRACTIVITY> 193.33960000000008 > <JCHEM_ROTATABLE_BOND_COUNT> 20 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.17e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> phytoene > <JCHEM_VEBER_RULE> 0 > <FOODB_ID> FDB030667 > <GENERIC_NAME> all-trans-phytoene $$$$