| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180440 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O4 |
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| Molecular Mass | 265.1063 |
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| SMILES | COc1cc2nc(CC(N)C(=O)O)n(C)c2cc1O |
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| InChI Key | MMDCIUQGOIUYLH-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 benzenoidsalkyl aryl ethersanisolesazacyclic compoundsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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