| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:09 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162795 |
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| Frequency | 0.5 |
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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(O)(C(=O)O)CC(O)C1O)c1ccccc1O |
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| InChI Key | JRLGSYLGMAIYQU-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssalicylamidessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidbenzamiden-glucuronideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran 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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