| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:22 UTC |
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| Update Date | 2025-03-21 17:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014010 |
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| Frequency | 316.4 |
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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)C(O)CC(=O)O |
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| InChI Key | PWBJJJTVKJNWGS-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 | acyloinsalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidgamma-keto acidketonebeta-hydroxy acidorganic oxideorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
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