| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:57 UTC |
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| Update Date | 2025-03-21 18:04:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052673 |
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| Frequency | 61.7 |
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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(Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(O)C1O |
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| InChI Key | TWCWZXXNLYBNAA-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanol1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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