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CHEBI:70363 - 3alpha-Acetoxymaoesin A, (rel)-

ChEBI IDCHEBI:70363
ChEBI Name3alpha-Acetoxymaoesin A, (rel)-
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H30O10
Net Charge0
Average Mass478.494
Monoisotopic Mass478.18390
SMILES[H][C@]12C[C@H]3O[C@H](O)[C@@]4([H])[C@]5(CO)[C@@]3([H])[C@](C1)(C(=O)O[C@]5([H])C[C@@H](OC(C)=O)[C@@]4(C)COC(C)=O)C(=O)C2=C
InChIInChI=1S/C24H30O10/c1-10-13-5-14-17-23(7-13,19(10)28)21(30)34-16-6-15(32-12(3)27)22(4,9-31-11(2)26)18(20(29)33-14)24(16,17)8-25/h13-18,20,25,29H,1,5-9H2,2-4H3/t13-,14+,15+,16+,17+,18+,20-,22+,23-,24-/m0/s1
InChIKeyWSLLKHLHBNYZFR-ADFKFDKLSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered 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)
3alpha-Acetoxymaoesin A, (rel)- (CHEBI:70363) has role metabolite (CHEBI:25212)
3alpha-Acetoxymaoesin A, (rel)- (CHEBI:70363) is a δ-lactone (CHEBI:18946)
Synonym  Source
rel-3alpha,19-diacetoxy-6alpha,20-dihydroxy-6,11beta-epoxy-15-oxo-6,7-seco-ent-kaur-16-en-1beta,7-olideChEBI
Citations