| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:26 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106514 |
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| Frequency | 25.3 |
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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)C=CC(=O)CCc1ccccc1 |
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| InChI Key | VMMIRXPWYKWVHN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsbenzene and substituted derivativescarboxylic acidsenoneshydrocarbon derivativesketonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidacryloyl-grouporganooxygen compoundenone |
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