| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:27 UTC |
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| Update Date | 2025-03-21 17:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002506 |
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| Frequency | 2418.3 |
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| Structure | |
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| Chemical Formula | C6H8O7 |
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| Molecular Mass | 192.027 |
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| SMILES | O=C1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YLKFQNUGXOLRNI-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | gluconolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonecarboxylic acid derivativepyran carboxylic acidlactonebeta-hydroxy acidorganic oxidegluconolactonealiphatic heteromonocyclic compoundoxanedelta_valerolactoneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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