| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:47 UTC |
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| Update Date | 2025-03-25 00:47:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164214 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O4 |
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| Molecular Mass | 276.111 |
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| SMILES | CC(O)C(Cc1c[nH]c2ccccc12)=NC(O)C(=O)O |
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| InChI Key | ZYPVUJRKRVZQPT-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 | alkanolaminesalpha hydroxy acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolessecondary alcoholssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidindoleiminealpha-hydroxy acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolaminealcoholazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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