| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:19 UTC |
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| Update Date | 2025-03-25 00:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5F3O5 |
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| Molecular Mass | 250.0089 |
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| SMILES | O=C(O)c1cc(C(=O)O)c(O)c(C(F)(F)F)c1 |
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| InChI Key | SCMYXPGCBPSOJQ-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl fluoridesbenzoic acidsbenzoyl derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenolssalicylic acidstrifluoromethylbenzenesvinylogous acids |
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| Substituents | carboxylic acidbenzoylsalicylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidemeta_phthalic_acidalkyl halide1-carboxy-2-haloaromatic compoundbenzoic acidtrifluoromethylbenzenealkyl fluorideorganofluoridehydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativesdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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