| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:36 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250791 |
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| Frequency | 0.5 |
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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=C(O)C1OCC(O)(C(=O)O)C1O |
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| InChI Key | ITYZXWMSESAURU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstertiary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidtetrahydrofuranalpha-hydroxy acidmonosaccharidecarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidtertiary alcoholsaccharideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound1,2-diol |
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