| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:02 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219957 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O8 |
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| Molecular Mass | 300.0845 |
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| SMILES | Cc1cc(O)cc(O)c1C1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | LDEJFLVAQYOETJ-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidsresorcinolssecondary alcoholstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherresorcinolbeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesm-cresolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidtoluene |
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