| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:56 UTC |
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| Update Date | 2025-03-21 18:05:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057255 |
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| Frequency | 55.4 |
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| Structure | |
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| Chemical Formula | C26H29N3O7 |
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| Molecular Mass | 495.2006 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2C(CCC(=O)O)=C(C)NC2C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | YHXCGJMMASAEPV-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 compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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