| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:41 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184577 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H44N5O9+ |
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| Molecular Mass | 618.3134 |
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| SMILES | NC(CCCc1c(CCC(N)C(=O)O)c[n+](Cc2ccc(O)cc2)c(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)C(=O)O |
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| InChI Key | QFCZOVKBMCZNNV-UHFFFAOYSA-O |
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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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativespyridineorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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