| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:42 UTC |
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| Update Date | 2025-03-21 18:37:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114485 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C21H23N3O4S2 |
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| Molecular Mass | 445.113 |
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| SMILES | NC1CSSC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
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| InChI Key | DSEPTOPSNZYLIJ-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 | cyclic peptides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesdipeptideshydrocarbon derivativeslactamsmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiocarboxylic acids and derivativesthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundthiocarboxylic acid or derivativesazacyclecarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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