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CHEBI:69660 - Athrolide C, (rel)-

Default Structure
ChEBI IDCHEBI:69660
ChEBI NameAthrolide C, (rel)-
Stars
DefinitionA natural product found in Athroisma proteiforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H32O8
Net Charge0
Average Mass460.523
Monoisotopic Mass460.20972
SMILES[H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(C)O)[C@H](OC(=O)/C(C)=C\C)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
InChIInChI=1S/C25H32O8/c1-8-12(2)22(28)33-21-18-14(4)23(29)32-19(20(18)31-17(27)11-24(5,6)30)13(3)15-9-10-16(26)25(15,21)7/h8-10,13,15,18-21,30H,4,11H2,1-3,5-7H3/b12-8-/t13-,15-,18+,19+,20-,21-,25-/m0/s1
InChIKeyBJUHMHABNCTBSM-TZDXKJQASA-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 C, (rel)- (CHEBI:69660) has role metabolite (CHEBI:25212)
Athrolide C, (rel)- (CHEBI:69660) 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-methyl-butanoyloxy)pseudoguaia-2(3),11-(13)-dien-9R,12-olideChEBI
Citations