| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:28 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223273 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O4S |
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| Molecular Mass | 280.0518 |
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| SMILES | NCC(=O)Nc1cccc2c(S(=O)(=O)O)cccc12 |
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| InChI Key | IYYXPITZRNDFTG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsalpha amino acid amidesalpha amino acidsarylsulfonic acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl grouporganosulfonic acidn-arylamidealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivative1-naphthalene sulfonic acid or derivatives1-naphthalene sulfonateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amide1-sulfo,2-unsubstituted aromatic compoundaromatic homopolycyclic compoundcarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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