| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:07 UTC |
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| Update Date | 2025-03-25 00:47:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO6 |
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| Molecular Mass | 297.1212 |
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| SMILES | Nc1ccc(OC2CC(O)(C(=O)O)CC(O)C2CO)cc1 |
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| InChI Key | JXFROWRWYBYTNU-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 | alkyl aryl ethersalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary alcoholsprimary aminestertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholcyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundaminequinic acid |
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