| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:47 UTC |
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| Update Date | 2025-03-25 00:48:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171098 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O5 |
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| Molecular Mass | 348.1685 |
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| SMILES | CC(=O)NC(CC(=O)c1ccccc1)C(O)=NC(CC(C)C)C(=O)O |
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| InChI Key | BTHHNVFPXZWURO-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonebenzoylpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideorganic 1,3-dipolar compoundcarboxamide groupphenylketonebutyrophenonearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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