| 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 | DMID02172423 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H44N4O10 |
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| Molecular Mass | 644.3057 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(Cc2[nH]c(CC3NC(C(=O)O)C(O)C(O)C3O)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | VJJLZAKEHZSZQQ-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespyrrolespyrrolinessecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidtricarboxylic acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxy acidsecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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