| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:08 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055370 |
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| Frequency | 57.8 |
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| Structure | |
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| Chemical Formula | C8H11NO3S |
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| Molecular Mass | 201.046 |
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| SMILES | NCCSCc1ccc(C(=O)O)o1 |
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| InChI Key | YDODNGVOORAMQC-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 | furoic acid and derivatives |
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| Direct Parent | furoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | carboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativefuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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