| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:41 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159507 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7 |
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| Molecular Mass | 218.0427 |
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| SMILES | O=CC(O)C=CC(=O)C(O)C(O)C(=O)O |
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| InChI Key | NRTXSHOCAMQMHV-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 acids and derivativesalpha-hydroxy ketonesalpha-hydroxyaldehydesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-hydroxyaldehydefatty alcoholhydroxy fatty acidenonealcoholaldehydehydroxy acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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