EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199686 - 1beta,7alpha,10alpha-trihydroxyeremophil-11(13)-en-12,8beta-olide

ChEBI IDCHEBI:199686
ChEBI Name1beta,7alpha,10alpha-trihydroxyeremophil-11(13)-en-12,8beta-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC=C1C(=O)O[C@@H]2C[C@]3(O)[C@H](O)CC[C@H](C)[C@@]3(C)C[C@]12O
InChIInChI=1S/C15H22O5/c1-8-4-5-10(16)15(19)6-11-14(18,7-13(8,15)3)9(2)12(17)20-11/h8,10-11,16,18-19H,2,4-7H2,1,3H3/t8-,10+,11+,13+,14-,15-/m0/s1
InChIKeyVBOVRPFFQYEBGW-CBEDKGEXSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (20155932)
ChEBI Ontology
Outgoing Relation(s)
1beta,7alpha,10alpha-trihydroxyeremophil-11(13)-en-12,8beta-olide (CHEBI:199686) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3aS,4aR,5S,8R,8aR,9aR)-3a,8,8a-trihydroxy-4a,5-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-4H-benzo[][1]benzouran-2-one
Manual XrefsDatabases
24671519ChemSpider