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CHEBI:179640 - Lettowianthine

ChEBI IDCHEBI:179640
ChEBI NameLettowianthine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H11NO4
Net Charge0
Average Mass317.300
Monoisotopic Mass317.06881
SMILESO=C1C(=O)N2CCc3cc4c(c5c3c2c1c1ccccc15)OCO4
InChIInChI=1S/C19H11NO4/c21-17-15-11-4-2-1-3-10(11)14-13-9(7-12-18(14)24-8-23-12)5-6-20(16(13)15)19(17)22/h1-4,7H,5-6,8H2
InChIKeyFMLHJJVSHOCVAU-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)
Lettowianthine (CHEBI:179640) is a isoquinoline alkaloid (CHEBI:24921)
IUPAC Name 
3,5-dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,14(22),15,17,19-heptaene-12,13-dione
Manual XrefsDatabases
10216687ChemSpider
HMDB0034923HMDB