| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:19 UTC |
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| Update Date | 2025-03-21 18:02:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036938 |
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| Frequency | 95.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O3 |
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| Molecular Mass | 220.0848 |
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| SMILES | NC(C(=O)O)C(O)c1c[nH]c2ccccc12 |
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| InChI Key | ITFHGBKXKUVKBW-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 | aromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidindolebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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