| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:09 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222510 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12N2O4S |
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| Molecular Mass | 304.0518 |
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| SMILES | O=C1NC(=O)C(=CC=NC(Cc2ccccc2)C(=O)O)S1 |
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| InChI Key | ZHEWGEXITPISLR-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundsthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidiminethiazolidinedionepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidethiolactoneorganoheterocyclic compoundamphetamine or derivativescarbonic acid derivativeazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundthiazolidine |
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