| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:42 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15ClN2O5S |
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| Molecular Mass | 358.039 |
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| SMILES | NC(CS(=O)(=O)c1ccc(NCc2ccco2)cc1Cl)C(=O)O |
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| InChI Key | CIPNYPMMJFTSLJ-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 | amino acidsaryl chloridesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidschlorobenzenesfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessulfones |
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| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganochlorideorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundbenzenesulfonyl grouparyl chloridechlorobenzeneheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacyclemonocarboxylic acid or derivativessulfonylorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneamineorganooxygen compoundsulfone |
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