Mrv1652304232017322D          

 40 39  0  0  0  0            999 V2000
    1.3062   -1.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -1.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015   -2.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7351   -1.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921   -5.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4049   -4.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -3.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096   -2.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1257   -3.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109   -0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1097   -0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8177    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2466    0.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9674   -0.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754    0.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3962   -0.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1043    0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8250   -0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5331    0.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8050    0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627    0.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2539   -0.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5203    0.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9618    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6827   -0.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3907    0.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1116   -0.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3780    0.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338   -4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   -3.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -4.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   -3.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914   -4.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122   -3.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202   -4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8410   -3.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -5.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202   -5.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  8  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  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
  6 10  1  0  0  0  0
 10 31  1  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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 33 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB030265

> <DATABASE_NAME>
foodb

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

> <INCHI_IDENTIFIER>
InChI=1S/C40H62/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/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29-,40-30+

> <INCHI_KEY>
OVSVTCFNLSGAMM-IQEMYQFOSA-N

> <FORMULA>
C40H62

> <MOLECULAR_WEIGHT>
542.936

> <EXACT_MASS>
542.485151996

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
73.57037424612946

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
9.56

> <JCHEM_LOGP>
13.017596789333332

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
194.45620000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.55e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
15,9'-di-cis-phytofluene

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB030265

> <GENERIC_NAME>
15,9'-di-cis-phytofluene

$$$$