| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:41 UTC |
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| Update Date | 2025-03-21 18:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128687 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C18H15BrCl2O8 |
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| Molecular Mass | 507.9327 |
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| SMILES | O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Br)C(O)C(O)C1O |
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| InChI Key | LGPUMCVWYIGLLO-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 | bromodiphenyl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl bromidesaryl chloridesbeta hydroxy acids and derivativesbromobenzenescarbonyl compoundscarboxylic acidschlorobenzenesdiarylethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganobromidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundorganochloridebromodiphenyl ethero-glucuronidemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativesbromobenzenehydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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