| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:02 UTC |
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| Update Date | 2025-03-21 17:56:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003924 |
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| Frequency | 1461.3 |
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| Structure | |
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| Chemical Formula | C9H8O3 |
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| Molecular Mass | 164.0473 |
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| SMILES | CC(=O)c1ccccc1C(=O)O |
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| InChI Key | QDAWXRKTSATEOP-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 compoundsacetophenonesaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesacetophenonehydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidalkyl-phenylketone |
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