| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O5S |
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| Molecular Mass | 272.0718 |
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| SMILES | O=C(O)CCCc1ccc(CSCCC(=O)O)o1 |
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| InChI Key | IZCOJTSQHNQIDO-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 | carbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundoxacycleorganic oxideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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