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CHEBI:67673 - Adenolin B

ChEBI IDCHEBI:67673
ChEBI NameAdenolin B
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O8
Net Charge0
Average Mass422.474
Monoisotopic Mass422.19407
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@](C1)(C(=O)C2=C)[C@]1(O)OC[C@]32[C@@H](O)CC[C@@](C)(COC(C)=O)[C@@]2([H])[C@@H]1O
InChIInChI=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
InChIKeyWCTFNFXLZNQINE-SCRDNNAUSA-N
Species of MetaboliteComponentSourceComments
Isodon adenolomus (ncbitaxon:662903) aerial part (BTO:0001658) PubMed (21534539) 70% aqueous acetone extract of air-dried and powdered aerial parts
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)
Adenolin B (CHEBI:67673) has role metabolite (CHEBI:25212)
Adenolin B (CHEBI:67673) is a kaurane diterpenoid (CHEBI:53666)
Citations