| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:08 UTC |
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| Update Date | 2025-03-21 18:03:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046092 |
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| Frequency | 72.9 |
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| Structure | |
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| Chemical Formula | C21H24ClNO4 |
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| Molecular Mass | 389.1394 |
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| SMILES | O=C(O)C(O)(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1 |
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| InChI Key | ORRJRTCZRDNOMB-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 | 1,3-aminoalcoholsalpha hydroxy acids and derivativesamino acidsamino fatty acidsaromatic alcoholsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminehydroxy acidamino fatty acidaryl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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