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CHEBI:69661 - Athrolide D, (rel)-

Default Structure
ChEBI IDCHEBI:69661
ChEBI NameAthrolide D, (rel)-
Stars
DefinitionA natural product found in Athroisma proteiforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC26H34O8
Net Charge0
Average Mass474.550
Monoisotopic Mass474.22537
SMILES[H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(O)CC)[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
InChIInChI=1S/C26H34O8/c1-8-13(3)23(29)34-22-19-15(5)24(30)33-20(14(4)16-10-11-17(27)26(16,22)7)21(19)32-18(28)12-25(6,31)9-2/h8,10-11,14,16,19-22,31H,5,9,12H2,1-4,6-7H3/b13-8-/t14-,16-,19+,20+,21-,22-,25?,26-/m0/s1
InChIKeyBQWLRUGJJOOTDC-LPXVYYNESA-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 D, (rel)- (CHEBI:69661) has role metabolite (CHEBI:25212)
Athrolide D, (rel)- (CHEBI:69661) is a carbonyl compound (CHEBI:36586)
Synonym  Source
rel-1S,7R,10(H)R-4-oxo-6S-[(Z)-2-methyl-2-butenoyloxy]-8S-(3-hydroxy-3-methylpentanoyloxy)pseudoguaia-2(3),11-(13)-dien-9R,12-olideChEBI
Citations