| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:33 UTC |
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| Update Date | 2025-03-21 18:31:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085034 |
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| Frequency | 33.6 |
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| Structure | |
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| Chemical Formula | C16H23N3O5 |
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| Molecular Mass | 337.1638 |
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| SMILES | NC(CCCCNc1ccc(C(=O)CC(N)C(=O)O)cc1)C(=O)O |
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| InChI Key | GHQWSGZPHZUGQK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic aminegamma-keto acidbutyrophenonearomatic homomonocyclic compoundketo aciddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaminealkyl-phenylketonemedium-chain keto acid |
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