| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:38 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179937 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H30N4O8 |
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| Molecular Mass | 586.2064 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4c(C)c(CCC(=O)O)c(cc5nc(cc1c(CCC(=O)O)c2C)N5)oc4=O)N3 |
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| InChI Key | WPTLTFNNDMPGLO-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamslactonesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyranones and derivativessecondary amines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidtricarboxylic acid or derivativeslactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary amineoxacycleorganic oxygen compoundpyranhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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