| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:15 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149370 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O6 |
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| Molecular Mass | 200.0321 |
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| SMILES | C=C1CC(CC(=O)O)(C(=O)O)OC1=O |
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| InChI Key | AUHDQIPOVNAUHV-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsenoate estersgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | enoate estercarbonyl groupcarboxylic acidtetrahydrofurantricarboxylic acid or derivativesgamma butyrolactonelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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