| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:01 UTC |
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| Update Date | 2025-03-25 00:53:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H45N5O9 |
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| Molecular Mass | 679.3217 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(=O)C4CCCN4C3=O)c(CCC(=O)O)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | SBDDUCWPCVHQDY-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 heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidinespyrrolinessecondary carboxylic acid amidestertiary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidtricarboxylic acid or derivatives2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclen-alkylpiperazineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrroline1,4-diazinanepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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