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CHEBI:213984 - Penipaline B

ChEBI IDCHEBI:213984
ChEBI NamePenipaline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O2
Net Charge0
Average Mass312.413
Monoisotopic Mass312.18378
SMILESCC(C)=CCc1cccc2c3c(nc12)C(C)(C)N[C@H](C(=O)O)C3
InChIInChI=1S/C19H24N2O2/c1-11(2)8-9-12-6-5-7-13-14-10-15(18(22)23)21-19(3,4)17(14)20-16(12)13/h5-8,15,20-21H,9-10H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyIWFSZFFBDGGFFE-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201400035)
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)
Penipaline B (CHEBI:213984) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
(3S)-1,1-dimethyl-8-(3-methylbut-2-enyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Manual XrefsDatabases
34982010ChemSpider