| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:09 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O6 |
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| Molecular Mass | 338.1478 |
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| SMILES | CC(=O)Nc1ccc(OC2CC(O)(C(=O)O)CC(O)C2CN)cc1 |
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| InChI Key | HTHLIIVXBGKUTA-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 | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesalkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amidestertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidn-acetylarylaminealpha-hydroxy acidn-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecyclohexanolhydroxy acidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundquinic acid |
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