| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19ClN2O3 |
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| Molecular Mass | 298.1084 |
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| SMILES | O=C(O)C(O)CCN1CCN(c2ccc(Cl)cc2)CC1 |
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| InChI Key | UBAZVZKUIDYQDJ-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsalpha hydroxy acids and derivativesamino acidsamino fatty acidsaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesdialkylarylaminesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesn-alkylpiperazinesn-arylpiperazinesorganic oxidesorganochloridesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundsaccharideorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhydroxy fatty aciddialkylarylaminetertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycleaniline or substituted anilinesn-alkylpiperazinetertiary aliphatic aminehydroxy acidamino fatty acidaryl halidephenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminen-arylpiperazineorganooxygen compound |
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