Marvin  02060617162D          

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M  END
> <ID>
CHEBI:27740

> <NAME>
gamma-carotene

> <DEFINITION>
A cyclic carotene obtained by the cyclisation of lycopene.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24189; CHEBI:10560

> <SYNONYM>
Gamma-carotene; gamma-Carotene

> <IUPAC_NAME>
beta,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\C1=C(C)CCCC1(C)C

> <INCHI>
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+

> <INCHIKEY>
HRQKOYFGHJYEFS-BXOLYSJBSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2066713

> <CAS_REGISTRY_NUMBER>
472-93-5

> <REAXYS_REGISTRY_NUMBER>
2066713

> <CHEMIDPLUS>
472-93-5

> <KEGG_COMPOUND_ACCESSION>
C05435

> <KNAPSACK_ACCESSION>
C00000926

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01070260

> <METACYC_ACCESSION>
CPD1F-126

> <WIKIPEDIA_ACCESSION>
Gamma-carotene

> <PUBMED_CITATION>
13114888; 14817276; 17992006; 23412054; 4784609

$$$$