| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:57:52 UTC |
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| Update Date | 2025-03-24 14:07:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00765342 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C4H3ClO3 |
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| Molecular Mass | 133.9771 |
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| SMILES | COC1=C(Cl)C(=O)O1 |
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| InChI Key | QJXAIEFOJKUOCX-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 esters |
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| Subclass | vinylogous esters |
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| Direct Parent | vinylogous esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterschloroalkeneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxetenesvinyl chlorides |
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| Substituents | carbonyl groupvinylogous esterchloroalkeneorganochloridecarboxylic acid derivativeorganohalogen compoundlactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidecarboxylic acid esteraliphatic heteromonocyclic compoundhaloalkenehydrocarbon derivativeoxetenevinyl chlorideorganoheterocyclic compoundorganooxygen compound |
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