CHEBI:67676 - Adenolin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Adenolin A
ChEBI ID CHEBI:67676
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H36O9
Net Charge 0
Average Mass 480.54790
Monoisotopic Mass 480.23593
InChI InChI=1S/C25H36O9/c1-13(26)32-11-22(3)6-5-7-23-12-33-25(30,21(29)19(22)23)24-9-15(16(10-31-4)20(24)28)8-17(18(23)24)34-14(2)27/h15-19,21,29-30H,5-12H2,1-4H3/t15-,16+,17+,18-,19+,21-,22-,23+,24-,25+/m0/s1
InChIKey DGVZXNNCLWTOAG-ILOGQNIYSA-N
SMILES [H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
Metabolite of Species Details
Isodon adenolomus (NCBI:txid662903) Found in aerial part (BTO:0001658). 70% aqueous acetone 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 Adenolin A (CHEBI:67676) has role metabolite (CHEBI:25212)
Adenolin A (CHEBI:67676) is a kaurane diterpenoid (CHEBI:53666)
Citation Waiting for Citations Type Source
21534539 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:ketone(CHEBI:17087); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:hemiacetal(CHEBI:5653); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);