| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:53 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155563 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O3 |
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| Molecular Mass | 216.0786 |
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| SMILES | CC(=O)C(C=CC(=O)O)=Cc1ccccc1 |
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| InChI Key | ZHGCBBDRWOTQFF-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 compoundsalpha-branched alpha,beta-unsaturated ketonesbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsenoneshydrocarbon derivativesketonesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketonearomatic homomonocyclic compoundunsaturated fatty acidcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidacryloyl-grouporganooxygen compoundenone |
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