| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204694 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O6 |
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| Molecular Mass | 264.0634 |
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| SMILES | O=C1OC2COC(c3ccc4c(c3)OCO4)C2C1O |
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| InChI Key | VOPJTSHGABRFOL-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 compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethertetrahydrofurancarboxylic acid derivativedialkyl ethergamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundfurofurancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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