| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:44 UTC |
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| Update Date | 2025-03-25 00:51:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11FO5 |
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| Molecular Mass | 242.0591 |
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| SMILES | CC(C(=O)O)c1ccc(C(O)(F)C(=O)O)cc1 |
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| InChI Key | BMBVRZZFPHLTFF-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 fluoridesalpha hydroxy acids and derivativesalpha-halocarboxylic acidsaromatic alcoholsaromatic monoterpenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganofluorides |
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| Substituents | aromatic alcoholalpha-halocarboxylic acid or derivativesmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-hydroxy acidp-cymenealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxide2-phenylpropanoic-acidalkyl halidealcoholalkyl fluorideorganofluoridehydroxy acidaromatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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