| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:54 UTC |
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| Update Date | 2025-03-21 18:30:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083552 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C14H16O9 |
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| Molecular Mass | 328.0794 |
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| SMILES | O=C(OC1C(O)CC(O)(C(=O)O)CC1O)c1cc(O)cc(O)c1 |
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| InChI Key | PQFQIMQAMCKCSJ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesresorcinolstertiary alcoholsm-hydroxybenzoic acid esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoate estercarboxylic acid derivativeresorcinolorganic oxidem-hydroxybenzoic acid estercyclohexanolbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidquinic acid |
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