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CHEBI:228860 - Crebanine

ChEBI IDCHEBI:228860
ChEBI NameCrebanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO4
Net Charge0
Average Mass339.391
Monoisotopic Mass339.14706
SMILES[H][C@@]12Cc3c(ccc(OC)c3OC)-c3c4c(cc(c31)CCN2C)OCO4
InChIInChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyUVDQDNQWGQFIAO-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Crebanine (CHEBI:228860) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
(12R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
Manual XrefsDatabases
295564ChemSpider