| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:40:25 UTC |
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| Update Date | 2025-03-24 14:31:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00867549 |
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| Frequency | 1.7 |
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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=C(O)CCC(=O)O1 |
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| InChI Key | VRYQHYUKDZORCS-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | carbonyl grouplactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundcarboxylic acid anhydridedicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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