| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:51 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21N3O7 |
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| Molecular Mass | 391.138 |
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| SMILES | O=C(O)CCC1NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)NC1=O |
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| InChI Key | IWKNDSJXJNTCMJ-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 | alpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacyclealpha-amino acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundcyclic alpha peptideorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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