| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:51 UTC |
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| Update Date | 2025-03-21 17:57:08 UTC |
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| HMDB ID | HMDB0002390 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005809 |
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| Name | 3-Cresotinic acid |
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| Frequency | 907.0 |
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| Structure | |
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| Chemical Formula | C8H8O3 |
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| Molecular Mass | 152.0473 |
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| SMILES | Cc1cccc(C(=O)O)c1O |
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| InChI Key | WHSXTWFYRGOBGO-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 benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolstoluenesvinylogous acids |
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| Substituents | carboxylic acidbenzoylsalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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