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CHEBI:217577 - Penipaline A

ChEBI IDCHEBI:217577
ChEBI NamePenipaline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20N2O2
Net Charge0
Average Mass284.359
Monoisotopic Mass284.15248
SMILESCC(C)=CCc1cccc2c3c(nc12)CN[C@H](C(=O)O)C3
InChIInChI=1S/C17H20N2O2/c1-10(2)6-7-11-4-3-5-12-13-8-14(17(20)21)18-9-15(13)19-16(11)12/h3-6,14,18-19H,7-9H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyVQSWVFALFFYCMJ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201400035)
ChEBI Ontology
Outgoing Relation(s)
Penipaline A (CHEBI:217577) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(3S)-8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
34981939ChemSpider