| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:25:37 UTC |
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| Update Date | 2025-03-21 22:18:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00546013 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C42H38N4O18 |
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| Molecular Mass | 886.2181 |
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| SMILES | O=C(O)CCC1=C2C=C3N=C(N=C2C=c2[nH]c(c(CC(=O)O)c2CCC(=O)O)=CC2=NC(=CC(C(=O)O)=C1CC(=O)O)C(CCC(=O)O)=C2CC(=O)O)C(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | CCOCMJNWXXFORR-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 | carboxylic acids |
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| Direct Parent | 1-carboxy-2-haloaromatic compounds |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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