| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:12 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043813 |
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| Frequency | 77.4 |
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| Structure | |
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| Chemical Formula | C8H10O7 |
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| Molecular Mass | 218.0427 |
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| SMILES | O=C(O)C1=CC(O)C(O)C(O)(C(=O)O)C1 |
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| InChI Key | ORKJFLLWCVJUGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | shikimic acids and derivatves |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativeshikimic acid or derivativesbeta-hydroxy acidtertiary alcoholorganic oxidesecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivative |
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