| 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 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181821 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | O=C(O)C(=O)Cc1ccc(Oc2ccccc2C(=O)O)cc1 |
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| InChI Key | ORAFUNORKYYJEL-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 compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzoic acidsbenzoyl derivativesdiarylethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenol ethersphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbenzoylalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acid1-carboxy-2-haloaromatic compoundbenzoic acidphenylpyruvatebenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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