| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:55 UTC |
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| Update Date | 2025-03-25 00:49:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176024 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N4O7 |
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| Molecular Mass | 392.1332 |
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| SMILES | N=C(O)CC1NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O |
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| InChI Key | CNDDJRGHWCJOFU-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 compoundscarboximidic acidscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcyclic alpha peptidephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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