| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:58 UTC |
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| Update Date | 2025-03-25 00:54:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203432 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9F5O3 |
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| Molecular Mass | 284.0472 |
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| SMILES | O=C(O)CC(O)(c1ccccc1)C(F)(F)C(F)(F)F |
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| InChI Key | CDKNMGOPELAKJP-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 fluoridesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylsfluorohydrinshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridestertiary alcohols |
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| Substituents | aromatic alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfluorohydrincarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalcoholhalohydrinalkyl fluorideorganofluoridearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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