| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:24 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20O12 |
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| Molecular Mass | 368.0955 |
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| SMILES | O=C(O)C1(O)CC(O)C(O)C(OC2OC(O)(C(=O)O)CC(O)C2O)C1 |
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| InChI Key | LVSZLCJBOKLORS-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 | quinic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclohexanolsdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaliphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compoundpyran carboxylic acid or derivativescyclohexanolhydroxy acidoxacycletertiary alcoholpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativequinic acid |
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