| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:22 UTC |
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| Update Date | 2025-03-25 00:49:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H42N4O7 |
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| Molecular Mass | 582.3054 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3CC(C(=O)O)N3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | VKYAGRDKHGZRTG-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 compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestrialkylaminestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidtricarboxylic acid or derivativesorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic aminecarboxamide groupazetidinesecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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