| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:59 UTC |
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| Update Date | 2025-03-21 18:29:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076514 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O5S |
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| Molecular Mass | 284.0467 |
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| SMILES | NC(Cc1c[nH]c2ccc(S(=O)(=O)O)cc12)C(=O)O |
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| InChI Key | CRRPJBNMPRUQJX-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidindoleorganosulfonic acidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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