| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:43 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180151 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11Cl3O6 |
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| Molecular Mass | 367.9621 |
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| SMILES | COc1cc(C=CC(=O)OC(C(=O)O)C(Cl)(Cl)Cl)ccc1O |
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| InChI Key | PAFQYONILGTSQR-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl chloridesanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl chlorideorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundalpha,beta-unsaturated carboxylic esterorganic oxidealkyl halideenoate estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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