| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:03:32 UTC |
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| Update Date | 2025-03-21 20:46:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00351285 |
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| Frequency | 5.4 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | C=CC(=O)C(O)CC(=O)O |
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| InChI Key | LPBNFQRLYCQJSC-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 | acryloyl compoundsacyloinsalpha-hydroxy ketonesbeta hydroxy acids and derivativescarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidehydroxy fatty acidenonealcoholhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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