| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:59 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203478 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9F3O4 |
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| Molecular Mass | 262.0453 |
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| SMILES | O=C(O)CC(C(=O)O)c1cccc(C(F)(F)F)c1 |
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| InChI Key | QYIOXUBGOLCTFZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluoridestrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativebenzenoidtrifluoromethylbenzeneorganooxygen compound |
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