CHEBI:67454 - Ananosin A

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ChEBI Name Ananosin A
ChEBI ID CHEBI:67454
Definition A natural product found in Kadsura ananosma.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H34O9
Net Charge 0
Average Mass 514.56420
Monoisotopic Mass 514.22028
InChI InChI=1S/C28H34O9/c1-9-13(2)28(30)37-23-15(4)14(3)22(29)16-10-19-25(36-12-35-19)27(34-8)20(16)21-17(23)11-18(31-5)24(32-6)26(21)33-7/h9-11,14-15,22-23,29H,12H2,1-8H3/b13-9+/t14-,15+,22-,23-/m1/s1
InChIKey YREZDJJVCCDBTG-INQFUDPWSA-N
SMILES COc1cc2[C@H](OC(=O)C(\C)=C\C)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Metabolite of Species Details
Kadsura ananosma (NCBI:txid133441) Found in seed (BTO:0001226). 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is S 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 Ananosin A (CHEBI:67454) has role metabolite (CHEBI:25212)
Ananosin A (CHEBI:67454) is a α,β-unsaturated carboxylic ester (CHEBI:51737)
Ananosin A (CHEBI:67454) is a aromatic ether (CHEBI:35618)
Ananosin A (CHEBI:67454) is a organic heterotetracyclic compound (CHEBI:38163)
Synonym Source
2-butenoic acid, 2-methyl-, (5R,6S,7R,8R)-5,6,7,8-tetrahydro-8-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl ester, (2E)- ChEBI
Manual Xref Database
C00036723 KNApSAcK
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Citations Waiting for Citations Types Sources
11738422 PubMed citation Europe PMC
21381710 PubMed citation Europe PMC
Last Modified
28 February 2024
General Comment
2014-10-17 Suggested Classification: ISA:lignan(CHEBI:25036); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:fatty acid ester(CHEBI:35748); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586); ISA:organic anion(CHEBI:25696);