| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:12 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C36H38N4O8 |
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| Molecular Mass | 654.269 |
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| SMILES | Cc1c2c(CCC(=O)O)c(C)c3cc4nc(c1CCC(=O)O)C=c1[nH]c(c(C)c1CCC(=O)O)=Cc(nc([nH]3)=C2)c(C)c4CCC(=O)O |
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| InChI Key | WIKQWJHSTAREQJ-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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