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CHEBI:169696 - Hydroxylated N-acetyl desmethyl frovatriptan

ChEBI IDCHEBI:169696
ChEBI NameHydroxylated N-acetyl desmethyl frovatriptan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19N3O3
Net Charge0
Average Mass289.335
Monoisotopic Mass289.14264
SMILESCC(=O)NC1CCC2Nc3c(O)cc(C(N)=O)cc3C2C1
InChIInChI=1S/C15H19N3O3/c1-7(19)17-9-2-3-12-10(6-9)11-4-8(15(16)21)5-13(20)14(11)18-12/h4-5,9-10,12,18,20H,2-3,6H2,1H3,(H2,16,21)(H,17,19)
InChIKeyCDCOGHQILPZANE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Hydroxylated N-acetyl desmethyl frovatriptan (CHEBI:169696) is a carbazoles (CHEBI:48513)
IUPAC Name 
6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
Manual XrefsDatabases
HMDB0061151HMDB
35031857ChemSpider