| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159545 |
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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=Cc1cc(O)ccc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | BDOCBRGAKKKRDC-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidshemiacetalshydrocarbon derivativeshydroxybenzaldehydesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearyl-aldehydehemiacetaloxaneorganoheterocyclic compound1,2-diolalcohol4-alkoxyphenolpyran carboxylic acid or derivativesaldehydehydroxy acidoxacyclebenzaldehydemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundhydroxybenzaldehyde |
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