| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:18 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024988 |
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| Frequency | 155.0 |
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| Structure | |
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| Chemical Formula | C13H12O8 |
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| Molecular Mass | 296.0532 |
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| SMILES | O=C(O)CCC(OC(=O)c1ccccc1C(=O)O)C(=O)O |
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| InChI Key | QXLVGULHZRMYOP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestetracarboxylic acid or derivativesbenzoate esteraromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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