| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:51 UTC |
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| Update Date | 2025-03-21 18:40:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131468 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C9H10O4 |
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| Molecular Mass | 182.0579 |
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| SMILES | Cc1cc(CC(=O)O)cc(O)c1O |
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| InChI Key | WFBHEMQMKRDKGZ-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 | phenols |
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| Subclass | cresols |
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| Direct Parent | meta cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesortho cresolstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidm-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolhydrocarbon derivativetolueneorganooxygen compound |
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