CHEBI:69046 - 7alpha-Obacunyl acetate

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ChEBI Name 7alpha-Obacunyl acetate
ChEBI ID CHEBI:69046
Definition A natural product found in Citropsis articulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H34O8
Net Charge 0
Average Mass 498.56480
Monoisotopic Mass 498.22537
InChI InChI=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
InChIKey VGEVFODMPBFOHX-XJHXUBQGSA-N
SMILES [H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]4(C)C=CC(=O)OC(C)(C)[C@]4([H])C[C@@H](OC(C)=O)[C@@]13C)[C@H](OC2=O)c1ccoc1
Metabolite of Species Details
Citropsis articulata (IPNI:771824-1) Found in root (BTO:0001188). Previous component: root bark; Ethyl acetate extract of dried and powdered root bark 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 7alpha-Obacunyl acetate (CHEBI:69046) has role metabolite (CHEBI:25212)
7alpha-Obacunyl acetate (CHEBI:69046) is a limonoid (CHEBI:39434)
Citation Waiting for Citations Type Source
21985060 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:terpene lactone(CHEBI:37668); ISA:organic heterotricyclic compound(CHEBI:26979); ISA:organooxygen compound(CHEBI:36963); ISA:naphthalenes(CHEBI:25477); ISA:carbonyl compound(CHEBI:36586); ISA:oxacycle(CHEBI:38104); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:furans(CHEBI:24129); ISA:enoate ester(CHEBI:51702); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955); ISA:organonitrogen compound(CHEBI:35352);