| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:21 UTC |
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| Update Date | 2025-03-25 01:02:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H28N4O6 |
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| Molecular Mass | 528.2009 |
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| SMILES | CC1=C(CCC(=O)O)C2=NC1=Cc1cc3nc([nH]c3c(CC(=O)O)c1C)C=c1[nH]c(c(C)c1CCC(=O)O)=C2 |
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| InChI Key | QRJOLNJLJWUQPU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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