| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:22 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO7 |
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| Molecular Mass | 351.1318 |
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| SMILES | CC(C(=O)O)c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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| InChI Key | NGZRUDLOVIKNOI-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonocyclic monoterpenoidsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty amidetricarboxylic acid or derivativesp-cymeneorganic oxide2-phenylpropanoic-acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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