Marvin  03100610082D          

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M  END
> <ID>
CHEBI:10362

> <NAME>
beta-cryptoxanthin

> <DEFINITION>
A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges.

> <STAR>
3

> <SYNONYM>
cryptoxanthin; Beta-cryptoxanthin; beta-Cryptoxanthin

> <IUPAC_NAME>
(3R)-beta,beta-caroten-3-ol

> <FORMULA>
C40H56O

> <MASS>
552.87204

> <MONOISOTOPIC_MASS>
552.43312

> <CHARGE>
0

> <SMILES>
CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C

> <INCHI>
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1

> <INCHIKEY>
DMASLKHVQRHNES-FKKUPVFPSA-N

> <CAS_REGISTRY_NUMBER>
472-70-8

> <REAXYS_REGISTRY_NUMBER>
2230123

> <CHEMIDPLUS>
472-70-8

> <KEGG_COMPOUND_ACCESSION>
C08591

> <KNAPSACK_ACCESSION>
C00000920

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR01070269

> <METACYC_ACCESSION>
CPD-7409

> <WIKIPEDIA_ACCESSION>
Cryptoxanthin

> <PUBMED_CITATION>
15386932; 19703237

$$$$