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

ChEBI IDCHEBI:69654
ChEBI Name22alpha,23alpha-epoxy-solanida-1,4-dien-3-one, (rel)-
Stars
DefinitionA natural product found in Solanum campaniforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H37NO2
Net Charge0
Average Mass407.598
Monoisotopic Mass407.28243
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])N3C[C@@H](C)C[C@@]4([H])O[C@@]34[C@@H](C)[C@]12[H]
InChIInChI=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
InChIKeyUGAJCJIZYPKGTJ-WUOUAPBYSA-N
Species of MetaboliteComponentSourceComments
Solanum campaniforme (IPNI:818569-1) leaf (BTO:0000713) PubMed (21962208) Dried leaves were extracted with ethyl alcohol.
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Citations