| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:59 UTC |
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| Update Date | 2025-03-21 18:07:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066877 |
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| Frequency | 45.6 |
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| Structure | |
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| Chemical Formula | C12H11Cl3O6 |
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| Molecular Mass | 355.9621 |
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| SMILES | O=C(O)C1OC(Oc2ccc(Cl)cc2Cl)C(Cl)C(O)C1O |
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| InChI Key | YDXWFRYPGHEVTN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl chloridesaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidchlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidsaccharideorganic oxideacetalalkyl halideoxane1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshalohydrinhydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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