| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:42 UTC |
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| Update Date | 2025-03-25 00:48:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | CC1CCC(C)(C)c2cc(C(=O)NCC(=O)O)ccc21 |
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| InChI Key | JKIBMSUWMADORP-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 | acyl glycines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnaphthalenecarboxamidesnaphthalenecarboxylic acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestetralins |
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| Substituents | tetralincarbonyl groupcarboxylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaromatic homopolycyclic compoundcarboxamide groupn-acylglycine2-naphthalenecarboxamidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound2-naphthalenecarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound2-naphthalenecarboxylic acidorganooxygen compound |
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