| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:54 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178335 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9ClO2 |
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| Molecular Mass | 196.0291 |
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| SMILES | COC(=O)C=Cc1cccc(Cl)c1 |
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| InChI Key | QCCTYRQOMYMCCU-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 | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundschlorobenzenesenoate estersfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aryl chlorideenoate esterchlorobenzenefatty acylmonocyclic benzene moietycarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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