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M  END
> <ID>
CHEBI:3136

> <NAME>
bixin

> <DEFINITION>
A carotenoic acid that is the 6'-monomethyl ester of 9'-cis-6,6'-diapocarotene-6,6'-dioic acid.

> <STAR>
3

> <SYNONYM>
Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate; Bixin; 6'-methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate; 6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate

> <IUPAC_NAME>
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid

> <FORMULA>
C25H30O4; C25H30O4

> <MASS>
394.511

> <MONOISOTOPIC_MASS>
394.21441

> <CHARGE>
0

> <SMILES>
C(\C=C\C(OC)=O)(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)O)/C)/C)\C)/C

> <INCHI>
InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-

> <INCHIKEY>
RAFGELQLHMBRHD-SLEZCNMESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1729919

> <CAS_REGISTRY_NUMBER>
6983-79-5

> <REAXYS_REGISTRY_NUMBER>
1729919

> <CHEMIDPLUS>
6983-79-5

> <KEGG_COMPOUND_ACCESSION>
C08582

> <KNAPSACK_ACCESSION>
C00003762

> <WIKIPEDIA_ACCESSION>
Bixin

> <AGRICOLA_CITATION>
IND44366642; IND605877940

> <PUBMED_CITATION>
19891958; 20723662; 20924658; 21111424; 21381747; 21620794; 21777644; 21813796; 22019694; 22071422; 28784497; 29636694; 29982093; 30064749; 30204479; 30738990; 30909470; 30944740; 31126484; 31275744; 31546267; 31846197; 32028848

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