| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:42 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C32H28N4O13 |
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| Molecular Mass | 676.1653 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CC(=O)O)O4)c(CC(=O)O)c3CCC(=O)O |
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| InChI Key | GQTOQHAOHPTXCS-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 | hexacarboxylic acids and derivatives |
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| Direct Parent | hexacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdiarylethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrroles |
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| Substituents | diaryl ethercarbonyl groupethercarboxylic acidazacycleheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesorganoheterocyclic compoundorganooxygen compound |
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