| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:45 UTC |
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| Update Date | 2025-03-21 18:31:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087826 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C(O)CCC(=O)OC(=O)Cc1ccccc1 |
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| InChI Key | RTMLLBZLJXCECO-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidtricarboxylic acid or derivativesaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridehydrocarbon derivativebenzenoidorganooxygen compound |
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