| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:32:50 UTC |
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| Update Date | 2025-03-21 18:45:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00140600 |
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| Frequency | 17.6 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=C1CC2C=COC2O1 |
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| InChI Key | ZGUNBAYSPSNMJY-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 | furofurans |
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| Subclass | furofurans |
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| Direct Parent | furofurans |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalscarbonyl compoundscarboxylic acid estersdihydrofuransgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalfurofurancarboxylic acid esterhydrocarbon derivativeorganooxygen compounddihydrofuran |
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