| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:37 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182214 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H15Cl3O6 |
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| Molecular Mass | 479.9934 |
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| SMILES | O=C(O)C1Cc2cc(O)ccc2C(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)O1 |
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| InChI Key | CYHXEGSTPTZCBY-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsaryl chloridescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideacetalaromatic heteropolycyclic compoundisochromaneorganoheterocyclic compoundaryl chloridechlorobenzenebenzopyranaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compound2-benzopyranhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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