| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:57 UTC |
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| Update Date | 2025-03-21 18:32:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090641 |
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| Frequency | 31.0 |
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| Structure | |
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| Chemical Formula | C7H8O4S |
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| Molecular Mass | 188.0143 |
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| SMILES | O=C(O)C1=C(C(=O)O)CSCC1 |
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| InChI Key | VAAKOSODQUIDIE-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 | thiopyrans |
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| Subclass | thiopyrans |
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| Direct Parent | thiopyrans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic aciddialkylthioetherthiopyrancarboxylic acid derivativeorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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