| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:18 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169959 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O9 |
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| Molecular Mass | 384.1169 |
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| SMILES | CC(=O)NC1C(O)C(Oc2ccccc2NC(=O)CO)OC(C(=O)O)C1O |
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| InChI Key | QIEYWNAHORGNNK-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsacetamidesanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsgamma amino acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundgamma amino acid or derivativesmonosacchariden-arylamidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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