CHEBI:69654 - 22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)-

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ChEBI Name 22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)-
ChEBI ID CHEBI:69654
Definition A natural product found in Solanum campaniforme.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H37NO2
Net Charge 0
Average Mass 407.58820
Monoisotopic Mass 407.28243
InChI InChI=1S/C27H37NO2/c1-15-11-23-27(30-23)16(2)24-22(28(27)14-15)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h7,9,12,15-16,19-24H,5-6,8,10-11,13-14H2,1-4H3/t15-,16-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey UGAJCJIZYPKGTJ-WUOUAPBYSA-N
SMILES [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@]6([H])CCC7=CC(=O)C=C[C@]7(C)[C@@]6([H])CC[C@]5(C)[C@@]4([H])[C@H](C)[C@@]13O2
Metabolite of Species Details
Solanum campaniforme (IPNI:818569-1) Found in leaf (BTO:0000713). Dried leaves were extracted with ethyl alcohol. 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 22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)- (CHEBI:69654) has role metabolite (CHEBI:25212)
22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)- (CHEBI:69654) is a oxo steroid (CHEBI:35789)
Citation Waiting for Citations Type Source
21962208 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:3-oxo-Delta(1),Delta(4)-steroid(CHEBI:77166); ISA:steroid(CHEBI:35341); ISA:indolizines(CHEBI:38485); ISA:piperidines(CHEBI:26151); ISA:epoxide(CHEBI:32955); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary amine(CHEBI:32876); ISA:cyclic ketone(CHEBI:3992); ISA:ether(CHEBI:25698);