| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:18 UTC |
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| Update Date | 2025-03-25 00:52:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O3 |
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| Molecular Mass | 246.1256 |
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| SMILES | CCCCC(=O)CC(=Cc1ccccc1)C(=O)O |
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| InChI Key | GDAFURKEHUKITQ-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 | benzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketonearomatic homomonocyclic compoundunsaturated fatty acidcinnamic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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