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CHEBI:69653 - 22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one

ChEBI IDCHEBI:69653
ChEBI Name22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one
Stars
DefinitionA natural product found in Solanum campaniforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H35NO2
Net Charge0
Average Mass405.582
Monoisotopic Mass405.26678
SMILES[H][C@@]12C[C@]3([H])N4C[C@@H](C)C[C@@]5([H])O[C@@]45[C@@H](C)[C@]3([H])[C@@]1(C)CC=C1[C@@]3(C)C=CC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C27H35NO2/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/h7-9,12,15-16,19,21-24H,5-6,10-11,13-14H2,1-4H3/t15-,16-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKeyWMTRIRCBLPHXBU-IWDSGUOSSA-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-1,4,9-trien-3-one (CHEBI:69653) has role metabolite (CHEBI:25212)
22alpha,23alpha-epoxy-solanida-1,4,9-trien-3-one (CHEBI:69653) is a oxo steroid (CHEBI:35789)
Citations