| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:19 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206514 |
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| Frequency | 0.5 |
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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(O)C(Cc1ccccc1)OC(=O)C1(O)CC(O)C(O)C(O)C1 |
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| InChI Key | JGEOSCCMDCWKQU-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenylpropanoic acidstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcyclohexanolcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidquinic acid |
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