| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:01:02 UTC |
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| Update Date | 2025-03-21 23:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00629706 |
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| Frequency | 2.5 |
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| Structure | |
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| Chemical Formula | C6H6O2S |
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| Molecular Mass | 142.0088 |
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| SMILES | Cc1ccc(C(=O)S)o1 |
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| InChI Key | ILMJJCHORUKBAQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolscarbodithioic acidscarbothioic s-acidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsoxacyclic compoundsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | thiocarboxylic acid or derivativesfuroic acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compoundcarbodithioic acidorganosulfur compoundcarboxylic acid derivativecarbothioic s-acidoxacycleorganic oxideorganic oxygen compoundhydrocarbon derivativethiolactonealkylthiolorganooxygen compound |
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