| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:10 UTC |
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| Update Date | 2025-03-21 18:33:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096014 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C12H14O9 |
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| Molecular Mass | 302.0638 |
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| SMILES | O=C(O)C1OC(c2cc(O)c(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | CETDQSQUPILXOV-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 benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyrogallols and derivativessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativespyrogallol derivativebenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoid |
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