| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:11 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156203 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O6S |
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| Molecular Mass | 302.0824 |
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| SMILES | Cc1c(CSCCC(=O)O)oc(CO)c1CCC(=O)O |
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| InChI Key | CSJKAESRWYVUJM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | aromatic alcoholalcoholfurancarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundoxacycleorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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