CHEBI:67662 - Isoadenolin K

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ChEBI Name Isoadenolin K
ChEBI ID CHEBI:67662
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/c1-10-12-8-21(17(10)25)14(7-13(12)24)20-9-28-22(21,27)18(26)16(20)19(3,4)6-5-15(20)29-11(2)23/h7,12-13,15-18,24-27H,1,5-6,8-9H2,2-4H3/t12-,13-,15-,16+,17+,18-,20+,21-,22-/m0/s1
InChIKey FVWUMQGTOQVUIL-NOILNLMISA-N
SMILES [H][C@]12C[C@@]3([C@H](O)C1=C)C(=C[C@@H]2O)[C@@]12CO[C@@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2OC(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 K (CHEBI:67662) has role metabolite (CHEBI:25212)
Isoadenolin K (CHEBI:67662) is a kaurane diterpenoid (CHEBI:53666)
Synonym Source
1alpha-acetoxy-6beta,7beta,12alpha,15beta-tetrahydroxy-7alpha,20-epoxy-entkaur-9(11),16-diene 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:organonitrogen compound(CHEBI:35352); ISA:carbonyl compound(CHEBI:36586);