CHEBI:67661 - Isoadenolin J

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ChEBI Name Isoadenolin J
ChEBI ID CHEBI:67661
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H28O7
Net Charge 0
Average Mass 404.45350
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h6,12,14-15,17-18,25-27H,1,5,7-9H2,2-4H3/t12-,14+,15-,17-,18+,20-,21+,22+/m1/s1
InChIKey GSKRIVQTOXDITI-PVROYMNUSA-N
SMILES [H][C@]12CC=C3[C@@]45CO[C@@](O)([C@@H](O)[C@]4([H])C(C)(C)CC[C@@H]5OC(C)=O)[C@]3([C@@H]1O)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 Isoadenolin J (CHEBI:67661) has role metabolite (CHEBI:25212)
Isoadenolin J (CHEBI:67661) is a kaurane diterpenoid (CHEBI:53666)
Synonym Source
1alpha-acetoxy-6beta,7beta,14beta-trihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-one ChEBI
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);