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CHEBI:212764 - 1beta,10alpha,13-Trihydroxyeremophil-7(11)-en-12,8beta-olide

ChEBI IDCHEBI:212764
ChEBI Name1beta,10alpha,13-Trihydroxyeremophil-7(11)-en-12,8beta-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@H]1CC[C@@H](O)[C@@]2(O)C[C@H]3OC(=O)C(CO)=C3C[C@]12C
InChIInChI=1S/C15H22O5/c1-8-3-4-12(17)15(19)6-11-9(5-14(8,15)2)10(7-16)13(18)20-11/h8,11-12,16-17,19H,3-7H2,1-2H3/t8-,11+,12+,14+,15-/m0/s1
InChIKeyWCCKEIQXJPAMMG-FAAANYFZSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (20155932)
ChEBI Ontology
Outgoing Relation(s)
1beta,10alpha,13-Trihydroxyeremophil-7(11)-en-12,8beta-olide (CHEBI:212764) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(4aR,5S,8R,8aR,9aR)-8,8a-dihydroxy-3-(hydroxymethyl)-4a,5-dimethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[][1]benzouran-2-one
Manual XrefsDatabases
78438015ChemSpider