| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:49 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126598 |
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| Frequency | 49.3 |
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| Structure | |
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| Chemical Formula | C27H32N6O7 |
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| Molecular Mass | 552.2332 |
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| SMILES | N=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC(=N)O)NC1=O |
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| InChI Key | IJPXGQUCIPMFPQ-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 | oligopeptides |
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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 acids and derivativescyclic peptideshydrocarbon derivativeslactamsmacrolactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesmacrolactamorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptidephenolhydrocarbon derivativebenzenoidalpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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