CHEBI:69661 - Athrolide D, (rel)-

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Athrolide D, (rel)-
ChEBI ID CHEBI:69661
Definition A natural product found in Athroisma proteiforme.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C26H34O8
Net Charge 0
Average Mass 474.54340
Monoisotopic Mass 474.22537
InChI InChI=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
InChIKey BQWLRUGJJOOTDC-LPXVYYNESA-N
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
Metabolite of Species Details
Athroisma proteiforme (IPNI:182889-1) Found in aerial part (BTO:0001658). Ethyl alcohol extract of dried, ground aerial parts. See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-olide ChEBI
Citation Waiting for Citations Type Source
21995542 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:delta-lactone(CHEBI:18946); ISA:fatty acid ester(CHEBI:35748); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:enoate ester(CHEBI:51702); ISA:ketone(CHEBI:17087); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);