| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208751 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19Cl3O3 |
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| Molecular Mass | 352.04 |
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| SMILES | CC(C(=O)O)c1ccc(C(OC(C)(C)C)C(Cl)(Cl)Cl)cc1 |
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| InChI Key | DZAHZAJSUPFVOR-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 chloridesaromatic monoterpenoidsbenzyletherscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganochlorides |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidbenzyletheralkyl chlorideorganochloridep-cymenecarboxylic acid derivativeorganohalogen compounddialkyl etheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidalkyl halidehydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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