| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:41 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N2O4 |
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| Molecular Mass | 272.0797 |
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| SMILES | O=C1Nc2ccc(O)cc2NC1c1ccc(O)c(O)c1 |
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| InChI Key | YSZYPSLGEGWVSD-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactam1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycle1-hydroxy-4-unsubstituted benzenoidsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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