| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:45 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | O=C(O)C(=O)CCC(O)CC(O)C(=O)O |
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| InChI Key | BSPYHRXRBOCUBI-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 derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundalpha-keto acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
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