| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:35 UTC |
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| Update Date | 2025-03-21 18:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032741 |
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| Frequency | 111.3 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | Cc1ccc(C(=O)O)c(C(=O)O)c1 |
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| InChI Key | CWJJAFQCTXFSTA-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundstoluenes |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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