Mrv1652309272007312D          

 21 20  0  0  0  0            999 V2000
10001.346710000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.631610000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.916110000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.201810000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.487210000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.772910000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.058510000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.344210000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 9994.915310000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10002.775010000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.490210000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.205410000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.918510000.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.633710000.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10001.346710001.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB001528

> <DATABASE_NAME>
foodb

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CO

> <INCHI_IDENTIFIER>
InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+

> <INCHI_KEY>
OJISWRZIEWCUBN-QIRCYJPOSA-N

> <FORMULA>
C20H34O

> <MOLECULAR_WEIGHT>
290.4834

> <EXACT_MASS>
290.26096571

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
38.17957192246918

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

> <ALOGPS_LOGP>
6.06

> <JCHEM_LOGP>
5.821811845999999

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.33002421872553

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2170474067294528

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
98.78729999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.43e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
geranylgeraniol

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB001528

> <GENERIC_NAME>
Geranylgeraniol

$$$$