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CHEBI:225714 - 10-Hydroxy-trans-paspalic acid Amide

ChEBI IDCHEBI:225714
ChEBI Name10-Hydroxy-trans-paspalic acid Amide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N3O2
Net Charge0
Average Mass283.331
Monoisotopic Mass283.13208
SMILESCN1CC(C(N)=O)=C[C@]2(O)c3cccc4ncc(c34)C[C@@H]12
InChIInChI=1S/C16H17N3O2/c1-19-8-10(15(17)20)6-16(21)11-3-2-4-12-14(11)9(7-18-12)5-13(16)19/h2-4,6-7,13,18,21H,5,8H2,1H3,(H2,17,20)/t13-,16+/m1/s1
InChIKeyMVQSONRXBDJXNB-CJNGLKHVSA-N
Species of MetaboliteComponentSourceComments
Claviceps paspali (ncbitaxon:40601) - DOI (10.1021/np50096a002)
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)
10-Hydroxy-trans-paspalic acid Amide (CHEBI:225714) is a ergoline alkaloid (CHEBI:60529)
IUPAC Name 
(6aR,10aS)-10a-hydroxy-7-methyl-4,6,6a,8-tetrahydroindolo[4,3-g]quinoline-9-carboxamide
Manual XrefsDatabases
58828613ChemSpider