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CHEBI:69662 - Athrolide E

Default Structure
ChEBI IDCHEBI:69662
ChEBI NameAthrolide E
Stars
DefinitionA natural product found in Athroisma proteiforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H36O8
Net Charge0
Average Mass488.577
Monoisotopic Mass488.24102
SMILES[H][C@]12OC(=O)C(=C)[C@]([H])([C@@H]1OC(=O)CC(C)(O)CC)[C@H](OC(=O)/C=C(\C)CC)[C@]1(C)C(=O)C=C[C@@]1([H])[C@@H]2C
InChIInChI=1S/C27H36O8/c1-8-14(3)12-19(29)34-24-21-16(5)25(31)35-22(15(4)17-10-11-18(28)27(17,24)7)23(21)33-20(30)13-26(6,32)9-2/h10-12,15,17,21-24,32H,5,8-9,13H2,1-4,6-7H3/b14-12+/t15-,17-,21+,22+,23-,24-,26?,27-/m0/s1
InChIKeyKCTDVWOWCJTSDH-UFGRCDDSSA-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 E (CHEBI:69662) has role metabolite (CHEBI:25212)
Athrolide E (CHEBI:69662) is a carbonyl compound (CHEBI:36586)
Synonym  Source
1S,7R,10(H)R-4-oxo-6S-(E)-3-methyl-2-pentenoyloxy-8S-(3-hydroxy-3-methylpentanoyloxy)-pseudoguaia-2(3),11(13)-dien-9R,12-olideChEBI
Citations