| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:11 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162859 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9Cl3O4 |
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| Molecular Mass | 321.9566 |
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| SMILES | O=C(C=Cc1ccccc1)OC(C(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | RXMIUMQFHBDRDT-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 | alkyl chloridesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estercinnamic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivativebenzenoidorganooxygen compound |
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