| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:50 UTC |
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| Update Date | 2025-03-25 00:52:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C38H40N4O8 |
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| Molecular Mass | 680.2846 |
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| SMILES | CC1=C(CCC(=O)O)C2=Cc3nc(c(C)c(CCC(=O)O)c3C)C=C3N=C(C=c4[nH]c(c(CCC(=O)O)c4C)=CC1=N2)C(CCC(=O)O)=C3C |
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| InChI Key | HMPSVTMZNOXXLR-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 | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinetetracarboxylic acid or derivativesorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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