| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:15 UTC |
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| Update Date | 2025-03-21 18:40:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130046 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C29H40N4O7 |
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| Molecular Mass | 556.2897 |
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| SMILES | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CCC(N)C(=O)O)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O |
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| InChI Key | CSSHLCMDPXZQPY-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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