| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:25 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H28N6O4S2 |
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| Molecular Mass | 504.1613 |
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| SMILES | NC1CSSCC(N)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2cccnc2)NC1=O |
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| InChI Key | VOYXBQBCOJMGGC-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 derivativesdipeptidesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmacrolactamsmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesmacrolactamorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidepyridineorganic oxygen compoundcyclic alpha peptideorganic disulfidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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