| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:22 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO3 |
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| Molecular Mass | 233.1052 |
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| SMILES | NC(CCC(=O)O)C(=O)C=Cc1ccccc1 |
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| InChI Key | IEHSDLQLZCNFNU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsamino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidscinnamic acids and derivativesenonesfatty acylshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivativesalpha,beta-unsaturated ketoneketonecinnamic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidenoneamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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