| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:19 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | C=CC(=O)C(O)C(=O)C(=O)O |
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| InChI Key | QBHATEXCLGUIQB-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 ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativesbeta-diketonescarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidhydroxy fatty acidenonealcoholhydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compound1,3-diketoneorganooxygen compoundmedium-chain keto acid |
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