| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:52 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226344 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O5 |
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| Molecular Mass | 174.0528 |
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| SMILES | CC(O)C(=O)C(=O)C(C)C(=O)O |
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| InChI Key | DFBVKPJUBKUDRA-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 | 1,3-dicarbonyl compoundsacyloinsalpha-diketonesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidalcoholmethyl-branched fatty acidalpha-diketonebranched fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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