EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174512 - 1alpha-Hydroxyarbusculin A

ChEBI IDCHEBI:174512
ChEBI Name1alpha-Hydroxyarbusculin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1C(=O)OC2C1CCC1(C)C(O)CCC(C)(O)C21
InChIInChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3
InChIKeyLVABKRFKENTQBT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1alpha-Hydroxyarbusculin A (CHEBI:174512) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzouran-2-one
Manual XrefsDatabases
35014363ChemSpider
HMDB0037059HMDB