| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:27 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161190 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O3 |
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| Molecular Mass | 208.0848 |
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| SMILES | NC(Cc1ccc2c(c1)OCN2)C(=O)O |
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| InChI Key | JWIFBDCCBOMPDY-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 | amino acidsazacyclic compoundsbenzenoidsbenzoxazolinescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclebenzoxazolinesecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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