CHEBI:67652 - Isoadenolin A

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ChEBI Name Isoadenolin A
ChEBI ID CHEBI:67652
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 C22H30O7
Net Charge 0
Average Mass 406.46940
Monoisotopic Mass 406.19915
InChI InChI=1S/C22H30O7/c1-9-11-8-12(24)13-20-7-5-6-19(3,4)14(20)17(27-10(2)23)22(26)21(13,15(9)25)16(11)28-18(20)29-22/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17+,18?,20-,21+,22+/m1/s1
InChIKey RJFSBZATPUTEOM-RQCRFNMZSA-N
SMILES [H][C@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](OC(C)=O)[C@]4(O)OC5O[C@@]1([H])[C@@]34[C@H](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 A (CHEBI:67652) has role metabolite (CHEBI:25212)
Isoadenolin A (CHEBI:67652) is a dioxanes (CHEBI:46926)
Synonym Source
6beta-acetoxy-7beta,11beta,15beta-trihydroxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-16-ene 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:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);