EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:171889 - (+)-Quebrachidine

ChEBI IDCHEBI:171889
ChEBI Name(+)-Quebrachidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12CC3/C(=C\C)CN1C1CC4(c5ccccc5NC42)[C@H](O)C31C(=O)OC
InChIInChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13?,15-,16?,17?,18-,20?,21?/m0/s1
InChIKeyRLUORQGMBKDXPO-ZRDPMSSMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
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)
(+)-Quebrachidine (CHEBI:171889) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
Manual XrefsDatabases
4948905ChemSpider
HMDB0030390HMDB
Registry NumbersSources
CAS:21641-60-1ChemIDplus