| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:39 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O6 |
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| Molecular Mass | 212.0321 |
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| SMILES | CC1=CC(=O)OC1C=C(C(=O)O)C(=O)O |
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| InChI Key | RRMLAXPTPHKSFJ-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 | butenolidescarbonyl compoundscarboxylic acidsdihydrofuransenoate estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic acidtricarboxylic acid or derivativeslactoneoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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