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CHEBI:174350 - (S)-Neolitsine

ChEBI IDCHEBI:174350
ChEBI Name(S)-Neolitsine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO4
Net Charge0
Average Mass323.348
Monoisotopic Mass323.11576
SMILESCN1CCc2cc3c(c4c2C1Cc1cc2c(cc1-4)OCO2)OCO3
InChIInChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3
InChIKeyGKEOKAJRKHTDOS-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)-Neolitsine (CHEBI:174350) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
Manual XrefsDatabases
29365170ChemSpider
HMDB0033358HMDB