Mrv0541 02241219172D          

 40 39  0  0  0  0            999 V2000
   -6.0219   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0219   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7645   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3620   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8770   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0729   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8146   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195   -1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645   -0.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    1.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3620    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6195    2.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    2.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    3.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    5.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4745    4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB020643

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C40H56/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/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15-,26-16+,31-17+,32-18-,35-21+,36-22-,37-27+,38-28-,39-29-,40-30+

> <INCHI_KEY>
OAIJSZIZWZSQBC-VAXROGIDSA-N

> <FORMULA>
C40H56

> <MOLECULAR_WEIGHT>
536.8726

> <EXACT_MASS>
536.438201792

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
71.04534936066418

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <ALOGPS_LOGP>
9.16

> <JCHEM_LOGP>
11.931831819333333

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
197.80600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,8Z,10E,12E,14Z,16E,18E,20Z,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB020643

> <GENERIC_NAME>
(9Z)-Lycopene

$$$$