| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:36 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161503 |
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| Frequency | 0.5 |
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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 | NCc1c(C(=O)O)csc1CCO |
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| InChI Key | HRNMFEHSZYPNID-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 | thiophenes |
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| Subclass | thiophene carboxylic acids and derivatives |
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| Direct Parent | thiophene carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalcohols and polyolsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholcarboxylic acidaromatic heteromonocyclic compoundthiophene carboxylic acidheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganooxygen compound |
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