| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:38 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO6 |
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| Molecular Mass | 253.0586 |
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| SMILES | O=C(O)C1OC(=Nc2ccc(O)cc2)C(O)C1O |
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| InChI Key | OCWJVAHSBLDRPT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranorganic 1,3-dipolar compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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