| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:18 UTC |
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| Update Date | 2025-03-21 18:40:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130169 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C28H29N3O8 |
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| Molecular Mass | 535.1955 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc1[nH]2)c(CCC(=O)O)c4C)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | LBMHXYMZDZDHGT-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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