| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:42 UTC |
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| Update Date | 2025-03-21 17:57:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007763 |
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| Frequency | 642.3 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=C(O)C1=CC(O)C(O)C(O)C1O |
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| InChI Key | CCHYYLPXFCHJRJ-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidhydroxy acidcarboxylic acid derivativeshikimic acid or derivativesbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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