| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:24 UTC |
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| Update Date | 2025-03-25 00:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13F5O3 |
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| Molecular Mass | 312.0785 |
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| SMILES | CC(C)(C)c1cc(C(=O)O)cc(C(F)(F)C(F)(F)F)c1O |
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| InChI Key | ZJJASLWKCHGTPN-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenolsphenylpropanes |
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| Substituents | carboxylic acidalkyl fluorideorganofluoridebenzoylcarboxylic acid derivativeorganohalogen compoundhydroxybenzoic acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolalkyl halidehydrocarbon derivativebenzoic acidorganooxygen compound |
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