CHEBI:67660 - Isoadenolin I, (rel)-

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ChEBI Name Isoadenolin I, (rel)-
ChEBI ID CHEBI:67660
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 C22H28O6
Net Charge 0
Average Mass 388.45410
Monoisotopic Mass 388.18859
InChI InChI=1S/C22H28O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h6,13,15-16,18,25-26H,1,5,7-10H2,2-4H3/t13-,15-,16+,18-,20+,21-,22-/m0/s1
InChIKey YANOCUIQFVTZFB-KTAPYFENSA-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(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.
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ChEBI Ontology
Outgoing Isoadenolin I, (rel)- (CHEBI:67660) has role metabolite (CHEBI:25212)
Isoadenolin I, (rel)- (CHEBI:67660) is a kaurane diterpenoid (CHEBI:53666)
Synonym Source
rel-1alpha-acetoxy-6beta,7beta-dihydroxy-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:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352);