EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:207624 - 1-Methoxy-1'-hydroxy-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-4-on

ChEBI IDCHEBI:207624
ChEBI Name1-Methoxy-1'-hydroxy-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-4-on
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H62O3
Net Charge0
Average Mass602.944
Monoisotopic Mass602.46990
SMILESCOC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O
InChIInChI=1S/C41H62O3/c1-33(21-14-23-35(3)24-16-26-37(5)28-18-31-40(7,8)43)19-12-13-20-34(2)22-15-25-36(4)27-17-29-38(6)39(42)30-32-41(9,10)44-11/h12-15,17,19-23,25-27,29,43H,16,18,24,28,30-32H2,1-11H3/b13-12+,21-14+,22-15+,27-17+,33-19+,34-20+,35-23+,36-25+,37-26+,38-29+
InChIKeyROEFDDKNUCSGSE-OXSCYCTNSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - DOI (10.1111/j.1574-6968.1996.tb08007.x)
ChEBI Ontology
Outgoing Relation(s)
1-Methoxy-1'-hydroxy-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-4-on (CHEBI:207624) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-31-hydroxy-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,26-decaen-5-one
Manual XrefsDatabases
59700405ChemSpider