| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:35 UTC |
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| Update Date | 2025-03-25 00:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H26Cl2N4O4 |
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| Molecular Mass | 516.1331 |
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| SMILES | NC(=O)C1CCCN1c1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 |
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| InChI Key | ZZHZNJZCLJDGGC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersalpha amino acid amidesalpha amino acidsaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylpyrrolidinesprimary carboxylic acid amidespyrrolespyrrolidinecarboxamides |
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| Substituents | phenol ethermonocyclic benzene moietyorganochloride1,3-dichlorobenzeneacetalketalorganonitrogen compoundalpha-amino acidaminophenyl etherorganoheterocyclic compoundaryl chloridechlorobenzenealpha-amino acid amideazacycleheteroaromatic compoundaryl halidepyrrolidine carboxylic acid or derivativespyrrolehydrocarbon derivativehalobenzenepyrrolidine-2-carboxamidephenoxy compoundamineprimary carboxylic acid amidemeta-dioxolanecarbonyl groupether1-phenylpyrrolidinearomatic heteromonocyclic compoundalkyl aryl etherorganohalogen compoundorganic oxideimidazoletertiary aliphatic/aromatic amineorganopnictogen compounddialkylarylaminepyrrolidinetertiary amineazolen-substituted imidazoleproline or derivativesaniline or substituted anilinescarboxamide groupoxacycleorganic oxygen compoundbenzenoidorganic nitrogen compoundorganooxygen compound |
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