| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O9 |
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| Molecular Mass | 314.0638 |
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| SMILES | O=C(O)c1ccccc1OC(=O)C1OC(O)C(O)C(O)C1O |
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| InChI Key | JXFMXWJFCRGFCC-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacylsalicylic acidsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol estersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | acylsalicylic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoylmonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidehemiacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidacylsalicylic acid or derivativesoxacyclepyrancarboxylic acid esterphenol estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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