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CHEBI:169828 - 5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal

Default Structure
ChEBI IDCHEBI:169828
ChEBI Name5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O3
Net Charge0
Average Mass448.647
Monoisotopic Mass448.29775
SMILESC/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C1C=C2C(C)(C)CC(O)CC2(C)O1
InChIInChI=1S/C30H40O3/c1-22(14-10-16-24(3)21-31)12-8-9-13-23(2)15-11-17-25(4)27-18-28-29(5,6)19-26(32)20-30(28,7)33-27/h8-18,21,26-27,32H,19-20H2,1-7H3/b9-8+,14-10+,15-11+,22-12+,23-13+,24-16-,25-17-
InChIKeyDFTUPAXJLNIGJB-UUVOACAKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal (CHEBI:169828) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2Z,4E,6E,8E,10E,12E,14Z)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzouran-2-yl)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenal
Manual XrefsDatabases
35014722ChemSpider
HMDB0039024HMDB