Mrv1652305221920312D          

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M  END
> <DATABASE_ID>
FDB018595

> <DATABASE_NAME>
foodb

> <SMILES>
[H]\C(CC\C(C)=C(/[H])\C(\[H])=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\C)C([H])=C([H])C(\[H])=C(\C)CC\C([H])=C(\C)CCC=C(C)C)=C(/C)CCC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H60/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/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3/b12-11+,25-15-,26-16+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-

> <INCHI_KEY>
BIWLELKAFXRPDE-ZKZMNQNVSA-N

> <FORMULA>
C40H60

> <MOLECULAR_WEIGHT>
540.9044

> <EXACT_MASS>
540.46950192

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
71.33551304412816

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,10Z,12E,14E,16E,18E,20Z,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene

> <ALOGPS_LOGP>
9.38

> <JCHEM_LOGP>
12.655675132666666

> <ALOGPS_LOGS>
-6.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
195.5728

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.37e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,10Z,12E,14E,16E,18E,20Z,22E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB018595

> <GENERIC_NAME>
(9Z,9'Z)-7,7',8,8'-Tetrahydrolycopene

$$$$