| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:26 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177224 |
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| Frequency | 0.5 |
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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 | Cc1ccc(CC=O)c(C(=O)O)c1O |
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| InChI Key | BKZYGTKMJZTPAL-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsalpha-hydrogen aldehydesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolsphenylacetaldehydestoluenesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidbenzoylsalicylic acidcarboxylic acid derivativeorganic oxideo-cresol1-carboxy-2-haloaromatic compoundbenzoic acidaldehyde1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydephenolhydrocarbon derivativetolueneorganooxygen compoundphenylacetaldehyde |
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