| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:54:13 UTC |
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| Update Date | 2025-03-24 14:38:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00900454 |
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| Frequency | 1.6 |
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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 | O=C1C=CC(C(=O)CO)O1 |
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| InChI Key | BYKTZRFSJRIWDG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alpha-acyloxy ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsbutenolidesdihydrofuransenoate estershydrocarbon derivativesketoneslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate esteralcoholalpha-acyloxy ketonecarboxylic acid derivativeketonelactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compounddihydrofuran |
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