Marvin  02070614042D          

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M  END
> <ID>
CHEBI:16833

> <NAME>
neurosporene

> <STAR>
3

> <SECONDARY_ID>
CHEBI:25511; CHEBI:7541; CHEBI:14643

> <SYNONYM>
Neurosporene; all-trans-neurosporene; (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,26,30-dodecaene

> <IUPAC_NAME>
7,8-dihydro-psi,psi-carotene

> <FORMULA>
C40H58

> <MASS>
538.88852

> <MONOISOTOPIC_MASS>
538.45385

> <CHARGE>
0

> <SMILES>
CC(C)=CCC\C(C)=C\CC\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/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

> <INCHIKEY>
ATCICVFRSJQYDV-XILUKMICSA-N

> <CAS_REGISTRY_NUMBER>
502-64-7

> <CHEMIDPLUS>
502-64-7

> <KEGG_COMPOUND_ACCESSION>
C05431

> <KNAPSACK_ACCESSION>
C00000912

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01070086

> <WIKIPEDIA_ACCESSION>
Neurosporene

> <AGRICOLA_CITATION>
IND500670349

> <PUBMED_CITATION>
7358679

$$$$