| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:32 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202468 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5NO3S |
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| Molecular Mass | 182.999 |
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| SMILES | O=C(O)c1ccc(CN=C=S)o1 |
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| InChI Key | NBBAZLZMFAOAMU-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 acidsheteroaromatic compoundshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | isothiocyanatecarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundorganic 1,3-dipolar compoundorganosulfur compoundcarboxylic acid derivativefuroic acidpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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