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CHEBI:67713 - 7alpha-Hydroxyparavallarine

ChEBI IDCHEBI:67713
ChEBI Name7alpha-Hydroxyparavallarine
Stars
DefinitionA natural product found in Kibatalia laurifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H33NO3
Net Charge0
Average Mass359.510
Monoisotopic Mass359.24604
SMILES[H][C@]12CC[C@]34C(=O)O[C@@H](C)[C@@]3([H])CC[C@@]4([H])[C@]1([H])[C@H](O)C=C1C[C@@H](NC)CC[C@@]12C
InChIInChI=1S/C22H33NO3/c1-12-15-4-5-17-19-16(7-9-22(15,17)20(25)26-12)21(2)8-6-14(23-3)10-13(21)11-18(19)24/h11-12,14-19,23-24H,4-10H2,1-3H3/t12-,14-,15+,16-,17-,18+,19+,21-,22-/m0/s1
InChIKeyPSCHPNOCVHDNMF-RZOBYWFHSA-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)
7alpha-Hydroxyparavallarine (CHEBI:67713) has role metabolite (CHEBI:25212)
7alpha-Hydroxyparavallarine (CHEBI:67713) is a steroid lactone (CHEBI:26766)
Synonym  Source
(3beta,7alpha,20S)-7-Hydroxy-3-(methylamino)-18,20-epoxypregn-5-en-18-oneChEBI
Citations