| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:02 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22N2O8S |
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| Molecular Mass | 438.1097 |
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| SMILES | CS(=O)(=O)Cc1ccc(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)o1 |
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| InChI Key | RTMRAYACWRYENL-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfuransheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidessulfones |
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| Substituents | furanmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylorganosulfur compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amidesulfonylorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundsulfone |
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