| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:03 UTC |
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| Update Date | 2025-03-25 01:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClO4 |
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| Molecular Mass | 256.0502 |
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| SMILES | COc1cc(C=CC(=O)OCCCl)ccc1O |
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| InChI Key | CVZASFMGQUJQCS-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 compoundsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl chlorideorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundalpha,beta-unsaturated carboxylic esterorganic oxidealkyl halideenoate estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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