| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:19 UTC |
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| Update Date | 2025-03-25 00:49:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172307 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H47N5O6 |
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| Molecular Mass | 645.3526 |
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| SMILES | CCC1C(=O)NC(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(Cc5ccccc5)N4)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)C1C |
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| InChI Key | JITQZLHLRHANGA-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolidinoneslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | imidazolidine2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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