EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186455 - Helilupolone

ChEBI IDCHEBI:186455
ChEBI NameHelilupolone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O4
Net Charge0
Average Mass462.630
Monoisotopic Mass462.27701
SMILESCC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CCc2ccccc2)=C1O
InChIInChI=1S/C30H38O4/c1-20(2)12-14-24-27(32)26(25(31)15-13-23-10-8-7-9-11-23)29(34)30(28(24)33,18-16-21(3)4)19-17-22(5)6/h7-12,16-17,32-33H,13-15,18-19H2,1-6H3
InChIKeyLFFGARMIFWEHDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Helilupolone (CHEBI:186455) is a benzenes (CHEBI:22712)
IUPAC Name 
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
LMPK12120593LIPID MAPS
24846140ChemSpider