| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:07 UTC |
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| Update Date | 2025-03-25 00:45:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O4S |
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| Molecular Mass | 336.1144 |
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| SMILES | O=C1NC2CSC(CCC(Cc3ccc(O)cc3)C(=O)O)C2N1 |
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| InChI Key | VIFQSOPKHDJDFI-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthienoimidazolidinesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinemonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidthiophenecarboxylic acid derivativeimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundcarbonic acid derivativeazacycledialkylthioetherthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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