| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:30 UTC |
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| Update Date | 2025-03-21 18:38:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121156 |
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| Frequency | 21.4 |
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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(OC1CC(O)(C(=O)O)CC(O)C1O)C(O)c1ccccc1 |
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| InChI Key | DVXSUFCQSVRCLV-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 derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcyclohexanolhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxidecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidquinic acid |
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