| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:04 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237978 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O5S |
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| Molecular Mass | 218.0249 |
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| SMILES | O=C(O)CC1SCC2C(C(=O)O)OC12 |
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| InChI Key | XHUFYJMMXHKCMV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersdialkylthioethershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxetanesthiolanes |
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| Substituents | thiolanecarbonyl groupethercarboxylic aciddialkylthioetherdialkyl etheraliphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundthioetheroxetanedicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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