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CHEBI:200391 - 1-methoxy-5R,10S-agroclavine

ChEBI IDCHEBI:200391
ChEBI Name1-methoxy-5R,10S-agroclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20N2O
Net Charge0
Average Mass268.360
Monoisotopic Mass268.15756
SMILESCOn1cc2c3c(cccc31)[C@@H]1C=C(C)CN(C)[C@@H]1C2
InChIInChI=1S/C17H20N2O/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)20-3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3/t14-,16+/m0/s1
InChIKeyOZXRMPYHEDZXHW-GOEBONIOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (9871562)
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)
1-methoxy-5R,10S-agroclavine (CHEBI:200391) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,10aS)-4-methoxy-7,9-dimethyl-6,6a,8,10a-tetrahydroindolo[4,3-g]quinoline
Manual XrefsDatabases
8259945ChemSpider