| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:58 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7Cl3O2 |
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| Molecular Mass | 215.9512 |
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| SMILES | CCCOC(=O)C(Cl)=C(Cl)Cl |
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| InChI Key | GCPAYVWHMHMXNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | vinyl halides |
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| Subclass | vinylogous halides |
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| Direct Parent | vinylogous halides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acid derivativescarbonyl compoundschloroalkenesenoate estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | enoate esteralpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupchloroalkeneorganochloridecarboxylic acid derivativevinylogous halidealpha-halocarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
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