| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:34 UTC |
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| Update Date | 2025-03-21 17:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005175 |
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| Frequency | 1044.9 |
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| Structure | |
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| Chemical Formula | C6H8O6 |
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| Molecular Mass | 176.0321 |
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| SMILES | O=C(O)CC(O)CC(=O)C(=O)O |
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| InChI Key | LKXPXNCQDRKVHJ-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidorganic oxideorganic oxygen compoundalpha-keto acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
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