CHEBI:180536 - 7-Hydroxymitragynine

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ChEBI Name 7-Hydroxymitragynine
ChEBI ID CHEBI:180536
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30N2O5
Net Charge 0
Average Mass 414.502
Monoisotopic Mass 414.21547
InChI InChI=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
InChIKey RYENLSMHLCNXJT-CYXFISRXSA-N
SMILES O[C@]12C(=NC3=C1C(OC)=CC=C3)[C@]4(N(C[C@H]([C@H](C4)/C(/C(OC)=O)=C\OC)CC)CC2)[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
23152144 ChemSpider
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Registry Number Type Source
174418-82-7 CAS Registry Number ChemIDplus