| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:03 UTC |
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| Update Date | 2025-03-21 18:30:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081524 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C16H12O5 |
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| Molecular Mass | 284.0685 |
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| SMILES | O=C(COC(=O)c1ccccc1C(=O)O)c1ccccc1 |
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| InChI Key | ALLBANBMQOETIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl alkyl ketonesbenzoic acid estersbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidalkyl-phenylketone |
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