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CHEBI:200230 - Dihydrosetoclavine

Default Structure
ChEBI IDCHEBI:200230
ChEBI NameDihydrosetoclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O
Net Charge0
Average Mass256.349
Monoisotopic Mass256.15756
SMILESCN1C[C@@](C)(O)C[C@@H]2c3cccc4ncc(c34)C[C@H]21
InChIInChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14-,16+/m1/s1
InChIKeyPYBBWVXSIFAQEZ-XPKDYRNWSA-N
Species of MetaboliteComponentSourceComments
Claviceps paspali (ncbitaxon:40601) - PubMed (4219404)
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)
Dihydrosetoclavine (CHEBI:200230) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-g]quinolin-9-ol
Manual XrefsDatabases
58828641ChemSpider