| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:17:25 UTC |
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| Update Date | 2025-03-25 00:38:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02103300 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC1OC(=O)C(=O)CC1=O |
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| InChI Key | FEDUUOBEUKADIJ-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 | gamma-keto acids and derivatives |
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| Direct Parent | 3-acylpyruvic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-acyloxy ketonescarboxylic acid esterscyclic ketonesdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl group3-acylpyruvic acidalpha-acyloxy ketonedelta valerolactonecyclic ketonecarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganoheterocyclic compoundorganooxygen compound |
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