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CHEBI:67716 - N-acetylgitingensine

ChEBI IDCHEBI:67716
ChEBI NameN-acetylgitingensine
Stars
DefinitionA natural product found in Kibatalia laurifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H33NO3
Net Charge0
Average Mass371.521
Monoisotopic Mass371.24604
SMILES[H][C@@]12CC=C3C[C@H](NC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@]13C(=O)O[C@@H](C)[C@@]1([H])CC[C@@]23[H]
InChIInChI=1S/C23H33NO3/c1-13-18-6-7-20-17-5-4-15-12-16(24-14(2)25)8-10-22(15,3)19(17)9-11-23(18,20)21(26)27-13/h4,13,16-20H,5-12H2,1-3H3,(H,24,25)/t13-,16+,17+,18+,19-,20-,22-,23-/m0/s1
InChIKeyMFYNPKUAXIUSHE-IEGXLHPXSA-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)
N-acetylgitingensine (CHEBI:67716) has role metabolite (CHEBI:25212)
N-acetylgitingensine (CHEBI:67716) is a steroid (CHEBI:35341)
Synonym  Source
N-[(3alpha,20S)-18-Oxo-18,20-epoxypregn-5-en-3-yl]acetamideChEBI
Citations