| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:47 UTC |
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| Update Date | 2025-03-21 18:07:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068809 |
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| Frequency | 44.0 |
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| Structure | |
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| Chemical Formula | C8H6O4 |
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| Molecular Mass | 166.0266 |
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| SMILES | O=COC(=O)c1ccccc1O |
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| InChI Key | KVLVFABOXKBNBQ-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 compoundsdicarboxylic 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 derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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