| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:05 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | CCc1ccc(OC2CC(O)(C(=O)O)CC(O)C2C(=O)O)cc1 |
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| InChI Key | UBJVQAWZJCEBOG-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 aryl ethersalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidecyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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