| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:12 UTC |
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| Update Date | 2025-03-21 18:32:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091281 |
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| Frequency | 30.8 |
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| Structure | |
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| Chemical Formula | C23H40N6O9+2 |
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| Molecular Mass | 544.2846 |
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| SMILES | NC(CCCC[N+]1=CC(CC(N)C(O)=O)=C(CCC(N)C(O)=O)C=[N+]1CC(O)CCC(N)C(O)=O)C(O)=O |
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| InChI Key | PBFAJRNGAMAJOQ-UHFFFAOYSA-P |
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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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridazines and derivativessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganic oxygen compoundpyridazineorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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