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CHEBI:229089 - Cryptoxanthin monoepoxide

ChEBI IDCHEBI:229089
ChEBI NameCryptoxanthin monoepoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C23OC2(C)CC(O)CC3(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14-,24-23+,27-25+,30-16+,31-17+,32-20+,33-21-
InChIKeyCMOLUFWHADIFGS-CEJQPHOLSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Cryptoxanthin monoepoxide (CHEBI:229089) is a xanthophyll (CHEBI:27325)
IUPAC Name 
1,5,5-trimethyl-6-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol
Manual XrefsDatabases
4475280ChemSpider