| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:10 UTC |
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| Update Date | 2025-03-21 18:38:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122741 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C13H18O3 |
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| Molecular Mass | 222.1256 |
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| SMILES | CCc1cc(C(=O)O)c(O)c(C(C)(C)C)c1 |
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| InChI Key | ZRSKFKLTWVKMPL-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 compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenolsphenylpropanesvinylogous acids |
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| Substituents | carboxylic acidbenzoylsalicylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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