| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:42 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133413 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | NC(Cc1c[nH]c2cc(O)cc(O)c12)C(=O)O |
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| InChI Key | ZCICNJQJRIGMIO-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivatives1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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