EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215296 - Sphecoline B

ChEBI IDCHEBI:215296
ChEBI NameSphecoline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14N2O4
Net Charge0
Average Mass286.287
Monoisotopic Mass286.09536
SMILESCOC(=O)c1cc2c(nc3ccc(O)cc32)c([C@H](C)O)n1
InChIInChI=1S/C15H14N2O4/c1-7(18)13-14-10(6-12(17-13)15(20)21-2)9-5-8(19)3-4-11(9)16-14/h3-7,16,18-19H,1-2H3/t7-/m0/s1
InChIKeyISXKMLWFKQPKAB-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Ophiocordyceps (ncbitaxon:474995) - DOI (10.1016/j.phytol.2018.07.020)
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)
Sphecoline B (CHEBI:215296) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
methyl 6-hydroxy-1-[(1S)-1-hydroxyethyl]-9H-pyrido[3,4-b]indole-3-carboxylate