| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:38 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O8 |
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| Molecular Mass | 326.1002 |
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| SMILES | O=C(c1ccccc1)C(O)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | AQAGEZNATFKBQL-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-phenylketonesalpha hydroxy acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acidscyclohexanolshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonealpha-hydroxy acidbenzoylcarboxylic acid derivativeketoneorganic oxidehemiacetalcyclohexanolhydroxy acidphenylketonearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketonearyl ketonequinic acid |
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