| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:36 UTC |
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| Update Date | 2025-03-25 01:01:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12Cl2O6S |
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| Molecular Mass | 353.9732 |
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| SMILES | O=C(O)C1SC(Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O |
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| InChI Key | MZFJZWZEPZDTGH-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 heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundssecondary alcoholsthianes |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidorganic oxideorganoheterocyclic compoundthianearyl chloridealcoholhydroxy acidaryl halidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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