CHEBI:67657 - Isoadenolin F, (rel)-

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ChEBI Name Isoadenolin F, (rel)-
ChEBI ID CHEBI:67657
Definition A natural product found in Isodon adenolomus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H34O8
Net Charge 0
Average Mass 438.51130
Monoisotopic Mass 438.22537
InChI InChI=1S/C23H34O8/c1-10-12-9-13(25)14-21-8-6-7-20(3,4)15(21)18(30-11(2)24)23(28,31-19(21)29-5)22(14,16(10)26)17(12)27/h12-19,25-28H,1,6-9H2,2-5H3/t12-,13+,14+,15-,16-,17-,18+,19+,21-,22+,23+/m1/s1
InChIKey LFLIJTKINZDKGG-MJBJSSGESA-N
SMILES [H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](OC(C)=O)[C@](O)(O[C@@H]5OC)[C@@]3([C@H](O)C1=C)[C@@H]2O
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 F, (rel)- (CHEBI:67657) has role metabolite (CHEBI:25212)
Isoadenolin F, (rel)- (CHEBI:67657) is a kaurane diterpenoid (CHEBI:53666)
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:hemiacetal(CHEBI:5653); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);