| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:46 UTC |
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| Update Date | 2025-03-21 18:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035547 |
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| Frequency | 100.2 |
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| Structure | |
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| Chemical Formula | C19H17Cl3O8 |
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| Molecular Mass | 477.9989 |
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| SMILES | O=C(O)C1C(O)C(O)C(O)C(O)C1Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | BTJOVYMMQMEBIN-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidorganic oxidearyl chloridechlorobenzenealcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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