| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:30:11 UTC |
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| Update Date | 2025-03-24 20:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01562975 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C3H3ClO4 |
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| Molecular Mass | 137.972 |
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| SMILES | O=C(O)C(Cl)=C(O)O |
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| InChI Key | TWKPHBBQEIQEAC-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 | vinylogous acids |
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| Subclass | vinylogous acids |
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| Direct Parent | vinylogous acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acidscarbonyl compoundscarboxylic acidschloroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidchloroalkeneorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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