| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:10:18 UTC |
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| Update Date | 2025-03-21 18:31:37 UTC |
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| HMDB ID | HMDB0129380 |
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| Metabolite Identification |
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| DeepMet ID | DMID00086791 |
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| Name | 2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C10H9NO5 |
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| Molecular Mass | 223.0481 |
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| SMILES | O=C(O)CNC(=O)c1ccc2c(c1)OCO2 |
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| InChI Key | FWHKWFNOFSQUIU-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundbenzodioxolecarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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