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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,9beta-hydroxy-22alpha,23alpha-epoxy-9(10)-seco-solanida-1,3,5(10)-triene, (rel)-
ChEBI ID CHEBI:69655
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 C27H39NO3
Net Charge 0
Average Mass 425.60350
Monoisotopic Mass 425.29299
InChI InChI=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
InChIKey ZSZIYSIYMPMVLO-YABRITBBSA-N
SMILES [H][C@@]12C[C@H](C)CN3[C@@]4([H])C[C@@]5([H])[C@H](CCc6cc(O)ccc6C)[C@@H](O)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 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)
Citation Waiting for Citations Type Source
21962208 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indolizines(CHEBI:38485); ISA:hydroxytoluene(CHEBI:24751); ISA:toluenes(CHEBI:27024); ISA:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:epoxide(CHEBI:32955); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);