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CHEBI:67712 - Paravallarine

ChEBI IDCHEBI:67712
ChEBI NameParavallarine
Stars
DefinitionA natural product found in Kibatalia laurifolia.
Secondary ChEBI IDCHEBI:7928
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H33NO2
Net Charge0
Average Mass343.511
Monoisotopic Mass343.25113
SMILES[H][C@@]12CC=C3C[C@@H](NC)CC[C@]3(C)[C@@]1([H])CC[C@]13C(=O)O[C@@H](C)[C@@]1([H])CC[C@@]23[H]
InChIInChI=1S/C22H33NO2/c1-13-17-6-7-19-16-5-4-14-12-15(23-3)8-10-21(14,2)18(16)9-11-22(17,19)20(24)25-13/h4,13,15-19,23H,5-12H2,1-3H3/t13-,15-,16+,17+,18-,19-,21-,22-/m0/s1
InChIKeyRSFPISDAJMWREU-CDFICMNGSA-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)
Paravallarine (CHEBI:67712) has role metabolite (CHEBI:25212)
Paravallarine (CHEBI:67712) is a steroid (CHEBI:35341)
Synonyms  Source
ParavallarineKEGG COMPOUND
(3beta,20S)-3-(Methylamino)-18,20-epoxypregn-5-en-18-oneChEBI
Manual XrefsDatabases
C10814KEGG COMPOUND
C00002255KNApSAcK
Registry NumbersSources
CAS:510-31-6KEGG COMPOUND
Citations