| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:42 UTC |
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| Update Date | 2025-03-21 18:04:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052093 |
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| Frequency | 62.5 |
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| Structure | |
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| Chemical Formula | C10H12O3 |
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| Molecular Mass | 180.0786 |
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| SMILES | CC(C)c1cccc(C(=O)O)c1O |
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| InChI Key | XGAYQDWZIPRBPF-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 derivativescumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanesvinylogous acids |
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| Substituents | carboxylic acidbenzoylsalicylic acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolcumenehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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