CHEBI:69392 - stemokerrine

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ChEBI Name stemokerrine
ChEBI ID CHEBI:69392
Definition A natural product found in Stemona kerrii.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H31NO5
Net Charge 0
Average Mass 389.48520
Monoisotopic Mass 389.22022
InChI InChI=1S/C22H31NO5/c1-5-16(24)14-8-6-9-15-18-12(2)20(27-17(18)10-7-11-23(14)15)21-19(26-4)13(3)22(25)28-21/h10,12,14-16,18,24H,5-9,11H2,1-4H3/b21-20-/t12-,14+,15-,16+,18+/m0/s1
InChIKey KLADGQYNEYECIT-LFVNKPDISA-N
SMILES [H][C@@]1(CCC[C@]2([H])N1CCC=C1O\C([C@@H](C)[C@]21[H])=C1OC(=O)C(C)=C/1OC)[C@H](O)CC
Metabolite of Species Details
Stemona kerrii (NCBI:txid564062) Found in root (BTO:0001188). See: PubMed
Stemona kerrii (NCBI:txid564062) Found in rhizome (BTO:0001181). MeOH extract of dried underground parts(tuberous roots and rhizomes) See: PubMed
Stemona kerrii (NCBI:txid564062) Found in tuberous root (BTO:0001309). MeOH extract of dried underground parts(tuberous roots and rhizomes) 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 stemokerrine (CHEBI:69392) has role metabolite (CHEBI:25212)
stemokerrine (CHEBI:69392) is a citraconoyl group (CHEBI:23315)
Citations Waiting for Citations Types Sources
21049906 PubMed citation Europe PMC
21902195 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:azepine(CHEBI:48105); ISA:butenolide(CHEBI:50523); ISA:piperidines(CHEBI:26151); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:ester(CHEBI:35701); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);