| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:50 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230609 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | CNC(=O)NCCSCc1ccc(CC(=O)O)o1 |
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| InChI Key | VTJQVRGMSXMBHV-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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