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CHEBI:69046 - 7alpha-Obacunyl acetate

Default Structure
ChEBI IDCHEBI:69046
ChEBI Name7alpha-Obacunyl acetate
Stars
DefinitionA natural product found in Citropsis articulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILES[H][C@]12CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@@]4([H])O[C@@]34[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C=C[C@]21C
InChIInChI=1S/C28H34O8/c1-15(29)33-19-13-18-24(2,3)35-20(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,36-22)27(17,19)6/h8-10,12,14,17-19,21-22H,7,11,13H2,1-6H3/t17-,18+,19-,21-,22-,25-,26+,27+,28-/m1/s1
InChIKeyVGEVFODMPBFOHX-XJHXUBQGSA-N
Species of MetaboliteComponentSourceComments
Citropsis articulata (IPNI:771824-1) root (BTO:0001188) PubMed (21985060) Previous component: root bark; Ethyl acetate extract of dried and powdered root bark
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)
7alpha-Obacunyl acetate (CHEBI:69046) has role metabolite (CHEBI:25212)
7alpha-Obacunyl acetate (CHEBI:69046) is a limonoid (CHEBI:39434)
Citations