EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69658 - Athrolide A

ChEBI IDCHEBI:69658
ChEBI NameAthrolide A
Stars
DefinitionA natural product found in Athroisma proteiforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H32O8
Net Charge0
Average Mass436.501
Monoisotopic Mass436.20972
SMILES[H][C@]12[C@H](C)C[C@]3([H])OC(=O)C(=C)[C@@]3([H])[C@H](OC(C)=O)[C@]1(C)[C@H](OC(C)=O)C[C@@H]2OC(=O)C(C)C
InChIInChI=1S/C23H32O8/c1-10(2)21(26)31-16-9-17(28-13(5)24)23(7)19(16)11(3)8-15-18(12(4)22(27)30-15)20(23)29-14(6)25/h10-11,15-20H,4,8-9H2,1-3,5-7H3/t11-,15+,16+,17-,18-,19-,20+,23-/m1/s1
InChIKeyNDMSWUKPDPLPAZ-WDPXAWCQSA-N
Species of MetaboliteComponentSourceComments
Athroisma proteiforme (IPNI:182889-1) aerial part (BTO:0001658) PubMed (21995542) Ethyl alcohol extract of dried, ground aerial parts.
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Athrolide A (CHEBI:69658) has role metabolite (CHEBI:25212)
Athrolide A (CHEBI:69658) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
(1S,2S,4R,5S,6S,7R,8S,10R)-2-(2-methylpropanoyloxy)-4-acetoxy-6-acetoxyguai-11(13)-en-8,12-olideChEBI
Citations