| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203628 |
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| Frequency | 0.5 |
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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=c(CC(=O)O)-c(C(=O)O)=c-c2nc([nH]2)=c-c2c(CCC(=O)O)c(CC(=O)O)c(c(CCC(=O)O)c2CC(=O)O)-c=c2nc3nc(cc-1-2)C(CCC(=O)O)=C3CC(=O)O |
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| InChI Key | IHDLQWZOGJWRQH-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 compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compound |
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