| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:21 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222978 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4S |
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| Molecular Mass | 281.0722 |
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| SMILES | NC(CSCC(=O)C=Cc1ccc(O)cc1)C(=O)O |
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| InChI Key | GJBCFATTYOCDLU-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalpha amino acidsbenzene and substituted derivativescarboxylic acidscysteine and derivativesdialkylthioethersenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesalpha,beta-unsaturated ketoneorganosulfur compoundcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesulfenyl compounddialkylthioetherhydroxycinnamic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesphenolhydrocarbon derivativebenzenoidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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