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CHEBI:181139 - Duguetine

ChEBI IDCHEBI:181139
ChEBI NameDuguetine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO5
Net Charge0
Average Mass355.390
Monoisotopic Mass355.14197
SMILES[H][C@]12c3c(cc4c(c3-c3cc(OC)c(OC)cc3[C@@H]1O)OCO4)CCN2C
InChIInChI=1S/C20H21NO5/c1-21-5-4-10-6-15-20(26-9-25-15)17-11-7-13(23-2)14(24-3)8-12(11)19(22)18(21)16(10)17/h6-8,18-19,22H,4-5,9H2,1-3H3/t18-,19-/m0/s1
InChIKeyZAVWGRCRKSHIMO-OALUTQOASA-N
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)
Duguetine (CHEBI:181139) is a alkaloid (CHEBI:22315)
IUPAC Name 
(12S,13S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol