| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:07:21 UTC |
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| Update Date | 2025-03-25 01:18:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02356073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C42H40N4O18 |
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| Molecular Mass | 888.2338 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)C2=NC1=Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C=C1N=C(C=C3NC2=C(CCC(=O)O)C(CC(=O)O)=C3CC(=O)O)C(CCC(=O)O)=C1CC(=O)O |
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| InChI Key | AYKIBIVCTNYUQK-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 | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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