| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202506 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8Cl2O5 |
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| Molecular Mass | 313.9749 |
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| SMILES | O=C(O)c1ccc(O)c(Oc2ccc(Cl)cc2Cl)c1O |
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| InChI Key | YBJUBHWHBPGXKJ-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 | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridesbenzoic acidsbenzoyl derivativesdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsresorcinolssalicylic acidsvinylogous acids |
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| Substituents | diaryl etherphenol etherethercarboxylic acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundresorcinol1,3-dichlorobenzeneorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidaryl chloridechlorobenzenebenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaryl halidehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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