Marvin  01290600262D          

 40 39  0  0  0  0            999 V2000
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    8.2164    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7862   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 33 34  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <ID>
CHEBI:15948

> <NAME>
lycopene

> <DEFINITION>
An acyclic carotene commonly obtained from tomatoes and other red fruits.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43789; CHEBI:6596; CHEBI:14541; CHEBI:26367

> <SYNONYM>
LYCOPENE; Lycopene; all-trans-lycopene; all-trans-lycopene; (6E,8E,10E,12E,14E,16E,18E,20E,22E,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

> <IUPAC_NAME>
psi,psi-carotene

> <FORMULA>
C40H56

> <MASS>
536.87264

> <MONOISOTOPIC_MASS>
536.43820

> <CHARGE>
0

> <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>
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+

> <INCHIKEY>
OAIJSZIZWZSQBC-GYZMGTAESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1730097

> <CAS_REGISTRY_NUMBER>
502-65-8

> <REAXYS_REGISTRY_NUMBER>
1730097

> <CHEMIDPLUS>
502-65-8

> <KEGG_COMPOUND_ACCESSION>
C05432

> <KNAPSACK_ACCESSION>
C00000911

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01070257

> <METACYC_ACCESSION>
CPD1F-114

> <PDBECHEM_ACCESSION>
LYC

> <WIKIPEDIA_ACCESSION>
Lycopene

> <PUBMED_CITATION>
10443333; 10493308; 10620348; 10720168; 10837319; 11117277; 11137891; 12239422; 12726756; 12792623; 12910307; 13129444; 15054415; 15065899; 15341191; 1550343; 15830922; 16194683; 16549453; 24397737; 7616301; 9100211

$$$$