EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168579 - Ipomeamaronol

ChEBI IDCHEBI:168579
ChEBI NameIpomeamaronol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(CO)CC(=O)CC1(C)CCC(c2ccoc2)O1
InChIInChI=1S/C15H22O4/c1-11(9-16)7-13(17)8-15(2)5-3-14(19-15)12-4-6-18-10-12/h4,6,10-11,14,16H,3,5,7-9H2,1-2H3
InChIKeyLKVKWNDXOWODLO-UHFFFAOYSA-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)
Ipomeamaronol (CHEBI:168579) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
1-[5-(uran-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one
Manual XrefsDatabases
HMDB0038148HMDB
185191ChemSpider
LMFA05000668LIPID MAPS
Registry NumbersSources
CAS:26767-96-4ChemIDplus