| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:45 UTC |
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| Update Date | 2025-03-21 17:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003245 |
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| Frequency | 1819.5 |
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| Structure | |
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| Chemical Formula | C5H6O7 |
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| Molecular Mass | 178.0114 |
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| SMILES | O=C(O)C(=O)C(O)C(O)C(=O)O |
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| InChI Key | XRFRWSQHMJJNME-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidhydroxy fatty acid1,2-diolalcoholhydroxy acidgamma-keto acidorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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