| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:11 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176622 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H31N3O5 |
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| Molecular Mass | 489.2264 |
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| SMILES | CC(=O)CCc1c(C)c2cc3[nH]c(cc4nc(cc1[nH]2)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C |
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| InChI Key | UQDLYFQBWFGPCK-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketonesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidazacycleheteroaromatic compoundketoneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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