| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:46 UTC |
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| Update Date | 2025-03-21 18:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033178 |
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| Frequency | 109.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O3 |
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| Molecular Mass | 307.1896 |
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| SMILES | Cc1cccc(C)c1NC(=O)CNCCCCC(N)C(=O)O |
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| InChI Key | VFJCJUVSMPPJFQ-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsanilidescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesm-xylenes |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidfatty acidn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminealpha-amino acid amidem-xylenesecondary aminecarboxamide groupamino fatty acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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