| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:35 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135379 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | O=C(O)CCC(=O)C=Cc1ccccc1 |
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| InChI Key | WHJRPMKIJXEPDG-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 | acryloyl compoundsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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