| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:11 UTC |
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| Update Date | 2025-03-21 18:04:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048592 |
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| Frequency | 68.2 |
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| Structure | |
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| Chemical Formula | C16H20O8 |
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| Molecular Mass | 340.1158 |
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| SMILES | O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C(CO)c1ccccc1 |
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| InChI Key | PQJXPVYQYOJRBC-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcoholstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary alcoholquinic acid |
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