| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:34 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252938 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6Cl2O3 |
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| Molecular Mass | 219.9694 |
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| SMILES | O=C(O)C(O)c1c(Cl)cccc1Cl |
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| InChI Key | PABUTOVPYBAOEN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholsaryl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridealcoholcarbonyl groupcarboxylic acidorganochloridealpha-hydroxy acidhydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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