EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69655 - 3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-

Default Structure
ChEBI IDCHEBI:69655
ChEBI Name3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-
Stars
DefinitionA natural product found in Solanum campaniforme.
Last Modified22 September 2014
DownloadsMolfile
FormulaC27H39NO3
Net Charge0
Average Mass425.613
Monoisotopic Mass425.29299
SMILES[H][C@]12[C@H](C)[C@@]34O[C@]3([H])C[C@H](C)CN4[C@@]1([H])C[C@@]1([H])[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
InChIKeyZSZIYSIYMPMVLO-YABRITBBSA-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)
3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)- (CHEBI:69655) has role metabolite (CHEBI:25212)
3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)- (CHEBI:69655) is a sesquiterpenoid (CHEBI:26658)
Citations