| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181850 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O7 |
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| Molecular Mass | 318.074 |
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| SMILES | O=C(O)C(=O)CC(O)c1cc(Oc2ccc(O)cc2)ccc1O |
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| InChI Key | KDZVPPONPJSGGE-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-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaromatic alcoholsbeta-hydroxy ketonescarboxylic acidsdiarylethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholdiaryl etherbeta-hydroxy ketonephenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidalcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidsecondary alcoholphenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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