| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:09 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O8 |
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| Molecular Mass | 236.0532 |
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| SMILES | O=C(O)C(=O)CC(C(O)CO)C(O)C(=O)O |
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| InChI Key | AZRXPRHFJBXAER-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 acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealpha-keto acidhydroxy fatty acidprimary alcoholalcoholhydroxy acidbranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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