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CHEBI:199663 - (3'E)-3',4'-didehydro-2'-apo-beta,psi-caroten-2'-al

ChEBI IDCHEBI:199663
ChEBI Name(3'E)-3',4'-didehydro-2'-apo-beta,psi-caroten-2'-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48O
Net Charge0
Average Mass508.790
Monoisotopic Mass508.37052
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=O)C(C)(C)CCC1
InChIInChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9+,18-11+,19-13+,21-12+,24-15+,27-26+,30-16+,31-17+,32-20+,33-22+,34-23+
InChIKeyBHSZYKGHISLXHM-NXQDGPRDSA-N
Species of MetaboliteComponentSourceComments
Cystofilobasidium infirmominiatum (ncbitaxon:89913) - PubMed (17597170)
ChEBI Ontology
Outgoing Relation(s)
(3'E)-3',4'-didehydro-2'-apo-beta,psi-caroten-2'-al (CHEBI:199663) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-4,8,12,17,21-pentamethyl-23-(2,6,6-trimethylcyclohexen-1-yl)tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
Manual XrefsDatabases
59700419ChemSpider