| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:25 UTC |
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| Update Date | 2025-03-21 18:04:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051430 |
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| Frequency | 63.5 |
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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=CCC(C(=O)O)O1 |
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| InChI Key | BHQMSNKTQDQJOZ-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 | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic aciddihydropyranonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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