CHEBI:67673 - Adenolin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Adenolin B
ChEBI ID CHEBI:67673
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 C22H30O8
Net Charge 0
Average Mass 422.46880
Monoisotopic Mass 422.19407
InChI InChI=1S/C22H30O8/c1-10-12-6-13(24)15-20-9-30-22(28,21(15,7-12)17(10)26)18(27)16(20)19(3,5-4-14(20)25)8-29-11(2)23/h12-16,18,24-25,27-28H,1,4-9H2,2-3H3/t12-,13+,14-,15-,16+,18-,19-,20-,21-,22+/m0/s1
InChIKey WCTFNFXLZNQINE-SCRDNNAUSA-N
SMILES [H][C@]12C[C@@H](O)[C@@]3([H])[C@@]45CO[C@](O)([C@@H](O)[C@]4([H])[C@@](C)(CC[C@@H]5O)COC(C)=O)[C@]3(C1)C(=O)C2=C
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 B (CHEBI:67673) has role metabolite (CHEBI:25212)
Adenolin B (CHEBI:67673) 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:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);