| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:30 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23N3O3 |
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| Molecular Mass | 293.1739 |
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| SMILES | NCC(O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1 |
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| InChI Key | QCNOZWXAMHNIJM-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-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsamphetamines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylbutylaminespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesproline or derivativesalcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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