| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:46 UTC |
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| Update Date | 2025-03-21 18:41:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135813 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C7H6O5 |
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| Molecular Mass | 170.0215 |
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| SMILES | O=C(OO)c1ccc(O)c(O)c1 |
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| InChI Key | UCBZNEHWJADUIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | peroxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivatives |
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| Substituents | peroxybenzoatebenzoyl1-hydroxy-2-unsubstituted benzenoidhydroperoxide1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeperoxolaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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