| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:41 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198212 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O7 |
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| Molecular Mass | 268.0583 |
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| SMILES | O=C(CCc1ccc(O)cc1)OC(C(=O)O)C(=O)O |
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| InChI Key | MTTRQPYFLDWQGK-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesaromatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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