| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:39 UTC |
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| Update Date | 2025-03-21 18:30:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080586 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C15H21ClN2O3 |
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| Molecular Mass | 312.1241 |
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| SMILES | NC(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)C(=O)O |
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| InChI Key | UFEHXKFEBCNODW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidtertiary aminearyl chloridechlorobenzenealcoholazacycletertiary aliphatic amineamino fatty acidaryl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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