| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 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 | DMID02205618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9Cl2N3O4S |
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| Molecular Mass | 324.9691 |
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| SMILES | NS(=O)(=O)c1c(Cl)cc2c(c1Cl)NCC(C(=O)O)N2 |
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| InChI Key | DYEXGHBQSXQJCM-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideazacycleaminosulfonyl compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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