| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:14 UTC |
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| Update Date | 2025-03-21 18:00:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027191 |
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| Frequency | 139.9 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | O=C1CCC(Cc2ccc3c(c2)OCO3)O1 |
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| InChI Key | FQPBZNOYSPQTLT-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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