| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:16 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C35H36N4O6 |
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| Molecular Mass | 608.2635 |
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| SMILES | C=CC1=C(C)c2nc1cc1cc3[nH]c(cc4nc(cc([nH]1)c(CCC(=O)O)c2C)C(CCC(=O)O)=C4C)c(C)c3CCC(=O)O |
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| InChI Key | HEXMSXLUFVUVIP-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic 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 compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundtricarboxylic acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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