| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:44 UTC |
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| Update Date | 2025-03-25 00:47:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164110 |
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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 | CC1=C(CCC(=O)O)C2=CC3=NC(=Cc4[nH]c(c(CCC(=O)O)c4C)C=C4N=C(C=C1N4)C(C)=C2CCC(=O)O)C(C)=C3CCC(=O)O |
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| InChI Key | HTXTUWOZSKFCBD-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidines and pyrimidine derivativespyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtetracarboxylic acid or derivativespyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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