| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:50 UTC |
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| Update Date | 2025-03-21 18:34:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102567 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | O=C1OCC2c3cc4c(cc3C(O)C12)OCO4 |
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| InChI Key | ZZJRGJHGRCGISP-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 | acetalscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesindanesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalaromatic heteropolycyclic compoundindanecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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