| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:24:04 UTC |
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| Update Date | 2025-03-24 22:03:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01976415 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H7NO2 |
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| Molecular Mass | 137.0477 |
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| SMILES | C=C(C(=O)O)n1cccc1 |
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| InChI Key | QVOYIUOIEFGDGL-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-amino acid or derivativessubstituted pyrroleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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