| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:07 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O8 |
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| Molecular Mass | 248.0532 |
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| SMILES | O=C(O)C=CC(O)C(O)(CCC(=O)O)C(=O)O |
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| InChI Key | XJECRTICGITCQN-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 | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidbeta-hydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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