| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:42 UTC |
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| Update Date | 2025-03-21 18:06:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061515 |
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| Frequency | 50.6 |
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| Structure | |
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| Chemical Formula | C14H14O10 |
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| Molecular Mass | 342.0587 |
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| SMILES | O=C(O)c1ccc(C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | MKNVNGIZHDHNFH-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 | acetalsbenzoic acid estersbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesp-phthalic acid and derivativespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivativesp-phthalate esters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronidemonosaccharidetricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalpara-phthalic acid esterbenzoic acidoxanephthalate esterorganoheterocyclic compoundpara_phthalic_acidalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoid |
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