EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184928 - 6-[(2Z)-3,7-Dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one

ChEBI IDCHEBI:184928
ChEBI Name6-[(2Z)-3,7-Dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILESCOc1cc2c(c(O)c1C/C=C(/C)CC(=O)C=C(C)C)C(=O)N(CCc1ccccc1)C2
InChIInChI=1S/C27H31NO4/c1-18(2)14-22(29)15-19(3)10-11-23-24(32-4)16-21-17-28(27(31)25(21)26(23)30)13-12-20-8-6-5-7-9-20/h5-10,14,16,30H,11-13,15,17H2,1-4H3/b19-10-
InChIKeyZJTHOPGQZOXEJX-GRSHGNNSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-[(2Z)-3,7-Dimethyl-5-oxoocta-2,6-dien-1-yl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-2,3-dihydro-1H-isoindol-1-one (CHEBI:184928) is a isoindoles (CHEBI:24897)
IUPAC Name 
6-[(2Z)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-7-hydroxy-5-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
Manual XrefsDatabases
30777163ChemSpider
HMDB0036548HMDB