EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168564 - (1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one

Default Structure
ChEBI IDCHEBI:168564
ChEBI Name(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C1CC(=O)C(=C(C)C)CC2C1CCC2(C)O
InChIInChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h11,13,17H,3,5-8H2,1-2,4H3
InChIKeyITIGZFMSPAFZAE-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)
(1alpha,4beta,5beta)-4-Hydroxy-7(11),10(14)-guaiadien-8-one (CHEBI:168564) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-hydroxy-3-methyl-8-methylidene-5-propan-2-ylidene-2,3a,4,8a-tetrahydro-1H-azulen-6-one
Manual XrefsDatabases
35014150ChemSpider
HMDB0036449HMDB