| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O12 |
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| Molecular Mass | 348.0329 |
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| SMILES | O=C(O)c1cc(=O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)o1 |
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| InChI Key | HXXDETVXFQBDSP-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecyclic ketonecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalpyranoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesvinylogous esterheteroaromatic compoundhydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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