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CHEBI:180536 - 7-Hydroxymitragynine

ChEBI IDCHEBI:180536
ChEBI Name7-Hydroxymitragynine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30N2O5
Net Charge0
Average Mass414.502
Monoisotopic Mass414.21547
SMILES[H][C@@]12C[C@H](/C(=C\OC)C(=O)OC)[C@H](CC)CN1CC[C@@]1(O)C2=Nc2cccc(OC)c21
InChIInChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1
InChIKeyRYENLSMHLCNXJT-CYXFISRXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
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)
7-Hydroxymitragynine (CHEBI:180536) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl (E)-2-[(2S,3S,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Manual XrefsDatabases
23152144ChemSpider
Registry NumbersSources
CAS:174418-82-7ChemIDplus