| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:38 UTC |
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| Update Date | 2025-03-21 17:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016744 |
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| Frequency | 254.3 |
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| Structure | |
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| Chemical Formula | C13H15NO8 |
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| Molecular Mass | 313.0798 |
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| SMILES | Nc1ccccc1C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | CDQXGNARPNZQNG-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 | acetalsamino acidsbenzoic acid estersbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespyran carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylo-glucuronidemonosaccharidebenzoate estercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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