| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:21 UTC |
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| Update Date | 2025-03-25 00:58:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O2S2 |
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| Molecular Mass | 173.9809 |
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| SMILES | CC1=C(C(=O)O)CC(=S)S1 |
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| InChI Key | PATDDNDPHNSDDJ-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 | carbodithiolactones |
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| Subclass | carbodithiolactones |
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| Direct Parent | carbodithiolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiophenesdithiocarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compounds |
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| Substituents | carbonyl groupcarboxylic acid2,3-dihydrothiopheneorganosulfur compoundcarboxylic acid derivativecarbodithiolactonedithiocarboxylic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativedithiocarboxylic acid or derivativesorganooxygen compound |
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