| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:57 UTC |
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| Update Date | 2025-03-21 18:05:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057310 |
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| Frequency | 55.4 |
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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 | O=C(NC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1O |
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| InChI Key | LCHPYFDCYXWNQX-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 | n-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzamidesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidbenzamiden-glucuronidebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamideoxacyclesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativessalicylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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