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CHEBI:174972 - (S)-Nandigerine

ChEBI IDCHEBI:174972
ChEBI Name(S)-Nandigerine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO4
Net Charge0
Average Mass311.337
Monoisotopic Mass311.11576
SMILESCOc1c(O)ccc2c1-c1c3c(cc4c1C(C2)NCC4)OCO3
InChIInChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3
InChIKeyCFUKKPQRQGCLAT-UHFFFAOYSA-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)
(S)-Nandigerine (CHEBI:174972) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
Manual XrefsDatabases
HMDB0033362HMDB
374109ChemSpider