| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:55 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO6 |
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| Molecular Mass | 295.1056 |
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| SMILES | NC(=O)Cc1ccc(OCC(=O)CC(O)CC(=O)O)cc1 |
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| InChI Key | OOYNGNDBQVOMJL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylacetamides |
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| Direct Parent | phenylacetamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino fatty acidsbeta hydroxy acids and derivativesbeta-hydroxy ketonescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsprimary carboxylic acid amidessecondary alcohols |
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| Substituents | primary carboxylic acid amidefatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidphenylacetamidealcoholhydroxy acidcarboxamide groupamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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