| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:40 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O2S |
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| Molecular Mass | 224.0619 |
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| SMILES | NCCSC(=O)c1ccccc1NC=O |
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| InChI Key | UBVQUCONNLUUMM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | anilidesbenzenecarbothioic s-acidsbenzoyl derivativescarbodithioic acidscarbonyl compoundscarbothioic s-acidscarbothioic s-esterscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthiobenzoic acids and derivativesthioestersthiolactonesvinylogous amides |
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| Substituents | benzenecarbothioic s-acidcarbonyl groupbenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativecarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactonethiobenzoic acid or derivativesvinylogous amidethiocarboxylic acid or derivativesacylaminobenzoic acid or derivativessulfenyl compoundthiocarboxylic acid estercarbodithioic acidcarboxamide groupcarbothioic s-acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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