CHEBI:169880 - 4-Hydroxyketamine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-Hydroxyketamine
ChEBI ID CHEBI:169880
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16ClNO2
Net Charge 0
Average Mass 253.730
Monoisotopic Mass 253.08696
InChI InChI=1S/C13H16ClNO2/c1-15-13(8-9(16)6-7-12(13)17)10-4-2-3-5-11(10)14/h2-5,9,15-16H,6-8H2,1H3
InChIKey RHZRNGQIDYHQPV-UHFFFAOYSA-N
SMILES ClC=1C(C2(NC)CC(O)CCC2=O)=CC=CC1
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Hydroxyketamine (CHEBI:169880) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2-(2-chlorophenyl)-4-hydroxy-2-(methylamino)cyclohexan-1-one
Manual Xrefs Databases
35032782 ChemSpider
HMDB0014017 HMDB
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