| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O5S |
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| Molecular Mass | 206.0249 |
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| SMILES | O=C(O)C1CCSCC1(O)C(=O)O |
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| InChI Key | RSPUQARDWDKBOZ-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 | thianes |
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| Subclass | thianes |
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| Direct Parent | thianes |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddialkylthioetheralpha-hydroxy acidhydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundthiane |
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