| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:39 UTC |
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| Update Date | 2025-03-21 18:06:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061383 |
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| Frequency | 50.7 |
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| Structure | |
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| Chemical Formula | C10H10O4 |
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| Molecular Mass | 194.0579 |
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| SMILES | CCC(=O)OC(=O)c1ccccc1O |
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| InChI Key | PAOOFHILOUJQHW-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 | salicylic acid 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 benzenoidsbenzoic acids and derivativesbenzoyl derivativesbenzyloxycarbonylscarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | benzyloxycarbonylcarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativescarboxylic acid anhydridedicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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