| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:38 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O4S |
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| Molecular Mass | 270.0674 |
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| SMILES | O=C(O)CN=C(O)CCSCc1cccc(O)n1 |
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| InChI Key | OVGCDKRPMXNFFO-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 | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativespyridineorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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