| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:54 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054832 |
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| Frequency | 90.6 |
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| Structure | |
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| Chemical Formula | C9H11NO3S |
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| Molecular Mass | 213.046 |
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| SMILES | O=C(O)CN=C(O)CCc1cccs1 |
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| InChI Key | ZNVLHZIEQNNAEY-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiophenes |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundorganic 1,3-dipolar compoundthiophenepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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