| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:59 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162385 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O11 |
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| Molecular Mass | 338.0849 |
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| SMILES | O=C(O)CCC(CC(=O)O)OC1C(C(=O)O)OC(O)C(O)C1O |
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| InChI Key | RYQBQHNGCORRSZ-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acidsdialkyl ethershemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupethercarboxylic acidglucuronic acid or derivativesmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl etherorganic oxidealiphatic heteromonocyclic compoundhemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesoxacyclepyransecondary alcoholhydrocarbon derivative |
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