| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:14 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120529 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | CC(=O)OC1Oc2ccccc2O1 |
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| InChI Key | MZBAJCZBPRZMBQ-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 | benzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acid orthoestershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid orthoestercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorthocarboxylic acid derivativeorganooxygen compoundbenzodioxole |
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