| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:13 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO7 |
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| Molecular Mass | 321.0849 |
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| SMILES | O=C(O)c1c(C2CC(O)C(O)C(C(=O)O)O2)[nH]c2ccccc12 |
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| InChI Key | PJHADOXXUDQORH-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsdialkyl ethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolecarboxylic acids and derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrole carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupethercarboxylic acidpyrrole-3-carboxylic acid or derivativesindolemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundoxaneorganoheterocyclic compound1,2-diolc-glucuronideindolecarboxylic 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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