| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152168 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO3S |
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| Molecular Mass | 293.1086 |
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| SMILES | NC(CCSCCC(C=O)=Cc1ccccc1)C(=O)O |
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| InChI Key | VPTINTVADDUYQM-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 | cinnamaldehydes |
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| Subclass | cinnamaldehydes |
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| Direct Parent | cinnamaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldehydesalpha amino acidsbenzene and substituted derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycinnamaldehydecarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetheraldehydearomatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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