CHEBI:67653 - Isoadenolin B

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ChEBI Name Isoadenolin B
ChEBI ID CHEBI:67653
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/c1-9-11-5-6-12-20-13(27-10(2)23)7-8-19(3,4)14(20)16(25)22(26)21(12,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16+,17+,18?,20+,21+,22+/m1/s1
InChIKey OWZOEAKQPTYTKK-FJSXHZHZSA-N
SMILES [H][C@]12CC[C@@]3([H])[C@]45[C@H](CCC(C)(C)[C@@]4([H])[C@H](O)[C@]4(O)OC5O[C@@H]1[C@@]34C(=O)C2=C)OC(C)=O
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 B (CHEBI:67653) has role metabolite (CHEBI:25212)
Isoadenolin B (CHEBI:67653) is a dioxanes (CHEBI:46926)
Synonym Source
1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-16-en-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:ketone(CHEBI:17087); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769);