| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:35 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O6 |
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| Molecular Mass | 262.0477 |
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| SMILES | O=C(C=Cc1ccc2c(c1)OCO2)CC(=O)C(=O)O |
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| InChI Key | QGUGKMLLEQUBIR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-acylpyruvic acidsacetalsacryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzenoidscarboxylic acidsenonesfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideacetalaromatic heteropolycyclic compoundalpha-keto acidbenzodioxoleenone3-acylpyruvic acidgamma-keto acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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