| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:47 UTC |
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| Update Date | 2025-03-21 18:31:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085609 |
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| Frequency | 33.4 |
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| Structure | |
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| Chemical Formula | C15H15NO9 |
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| Molecular Mass | 353.0747 |
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| SMILES | O=C(O)c1c(OC2OC(C(=O)O)C(O)C(O)C2O)[nH]c2ccccc12 |
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| InChI Key | WDSYGHMLPGYFGT-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 heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsacetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrole carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundoxaneorganoheterocyclic compoundindolecarboxylic acid derivativealcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclepyranpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acid |
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