Mrv1652305221920312D          

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M  END
> <DATABASE_ID>
FDB018592

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

> <INCHI_IDENTIFIER>
InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,35-21+,36-22+,37-27-,38-28-,39-29+,40-30-

> <INCHI_KEY>
ATCICVFRSJQYDV-WFFXTUDTSA-N

> <FORMULA>
C40H58

> <MOLECULAR_WEIGHT>
538.8885

> <EXACT_MASS>
538.453851856

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
71.33477867669613

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,8E,10E,12Z,14E,16E,18E,20E,22Z,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <ALOGPS_LOGP>
9.28

> <JCHEM_LOGP>
12.293753476

> <ALOGPS_LOGS>
-6.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
196.6894

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.66e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,8E,10E,12Z,14E,16E,18E,20E,22Z,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB018592

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

$$$$