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CHEBI:67711 - 3-epi-gitingensine

ChEBI IDCHEBI:67711
ChEBI Name3-epi-gitingensine
Stars
DefinitionA natural product found in Kibatalia laurifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H31NO2
Net Charge0
Average Mass329.484
Monoisotopic Mass329.23548
SMILES[H][C@@]12CC=C3C[C@@H](N)CC[C@]3(C)[C@@]1([H])CC[C@]13C(=O)O[C@@H](C)[C@@]1([H])CC[C@@]23[H]
InChIInChI=1S/C21H31NO2/c1-12-16-5-6-18-15-4-3-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)19(23)24-12/h3,12,14-18H,4-11,22H2,1-2H3/t12-,14-,15+,16+,17-,18-,20-,21-/m0/s1
InChIKeyLFGPYDIPRZAYQB-DFJIJILOSA-N
Species of MetaboliteComponentSourceComments
Kibatalia laurifolia (IPNI:79456-1) leaf (BTO:0000713) PubMed (21443172) Dried, ground leaves were alkalized with NH4OH & extracted successively with n-hexane, CH2Cl2 & MeOH
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-epi-gitingensine (CHEBI:67711) has role metabolite (CHEBI:25212)
3-epi-gitingensine (CHEBI:67711) is a steroid (CHEBI:35341)
Synonym  Source
3beta-amino-20-hydroxy-5-pregnen-18-oic acid-gamma-lactoneChEBI
Citations