| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:05 UTC |
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| Update Date | 2025-03-21 18:32:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090991 |
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| Frequency | 30.9 |
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| Structure | |
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| Chemical Formula | C13H12O5 |
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| Molecular Mass | 248.0685 |
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| SMILES | O=C1OCC2COC(c3ccc4c(c3)OCO4)C12 |
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| InChI Key | NOKQTPLUDMNCON-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 estersdialkyl ethersfurofuransgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | carbonyl groupethertetrahydrofurancarboxylic acid derivativedialkyl ethergamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundfurofurancarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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