| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:30 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H7F9O3 |
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| Molecular Mass | 370.0251 |
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| SMILES | O=C(O)C(O)(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Key | DTZZAZUZCZGAQT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha hydroxy acids and derivativesaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsfluorohydrinshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridestertiary alcohols |
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| Substituents | aromatic alcoholcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidfluorohydrincarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acidorganic oxidealkyl halidemedium-chain fatty acidhydroxy fatty acidhalogenated fatty acidalcoholhalohydrinalkyl fluorideorganofluoridehydroxy acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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