| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:32 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156976 |
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| Frequency | 0.5 |
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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(Oc1ccc(O)cc1)OC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | OSQHJAYGNKVNEQ-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 derivativescarbonic acid diesterscarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidecarbonic acid derivativecarbonic acid diestercyclohexanolhydroxy acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativessecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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