| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:36 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O5 |
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| Molecular Mass | 262.0841 |
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| SMILES | O=C(O)CC(CC(=O)C=Cc1ccccc1)C(=O)O |
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| InChI Key | GMSNFBXZJBUAPU-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 derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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