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

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ChEBI Name 3alpha-Acetoxymaoesin A, (rel)-
ChEBI ID CHEBI:70363
Definition A natural product found in Isodon eriocalyx.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H30O10
Net Charge 0
Average Mass 478.48900
Monoisotopic Mass 478.18390
InChI InChI=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
InChIKey WSLLKHLHBNYZFR-ADFKFDKLSA-N
SMILES [H][C@]12C[C@H]3O[C@H](O)[C@]4([H])[C@](C)(COC(C)=O)[C@@H](C[C@@]5([H])OC(=O)[C@](C1)(C(=O)C2=C)[C@]3([H])[C@@]45CO)OC(C)=O
Metabolite of Species Details
Isodon eriocalyx (IPNI:448573-1) Found in aerial part (BTO:0001658). 70% aqueous Me2CO extract of air-dried and powdered 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 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-olide ChEBI
Citation Waiting for Citations Type Source
20949916 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:hemiacetal(CHEBI:5653); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734);