| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:31:50 UTC |
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| Update Date | 2025-03-24 21:13:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01710414 |
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| Frequency | 0.7 |
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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(C(=O)O)OCC1 |
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| InChI Key | HLOLPDCHDCHAQB-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 | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic aciddihydropyranonevinylogous estercyclic ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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