| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H27Cl2N3O5 |
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| Molecular Mass | 531.1328 |
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| SMILES | O=C(O)C1CCCCN1c1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 |
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| InChI Key | QBDPECUEVXMYAF-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-dioxolanesalkyl aryl ethersalpha amino acidsamino acidsaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspiperidinecarboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarboxylic acidamino acid or derivativesorganochloridealpha-amino acid or derivatives1,3-dichlorobenzeneacetalketalalpha-amino acidorganonitrogen compoundaminophenyl etheraryl chloridechlorobenzeneazacycleheteroaromatic compoundaryl halidehydrocarbon derivativehalobenzenephenoxy compoundaminemeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundamino acidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideimidazoletertiary aliphatic/aromatic amineorganopnictogen compoundpiperidinecarboxylic aciddialkylarylaminetertiary amineazolen-substituted imidazoleaniline or substituted anilinesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinebenzenoidorganic nitrogen compoundorganooxygen compound |
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