| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:54 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4S2 |
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| Molecular Mass | 316.0551 |
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| SMILES | Nc1c(O)cccc1C(=O)CSSCCC(N)C(=O)O |
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| InChI Key | YGGDUPJGURRDOB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkyldisulfidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidsvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidvinylogous amidesulfenyl compound1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compounddialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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