| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:03 UTC |
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| Update Date | 2025-03-21 18:04:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052890 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C8H12O8 |
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| Molecular Mass | 236.0532 |
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| SMILES | O=C(O)CCC(O)(CC(O)C(=O)O)C(=O)O |
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| InChI Key | CQBQTNMBPLCAHQ-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 | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidtertiary alcoholorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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