| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:52 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157719 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H31N5O13 |
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| Molecular Mass | 717.1918 |
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| SMILES | O=C(O)CCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(=O)N4)c(CC(=O)O)c3CCC(=O)O |
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| InChI Key | CKXUTJMYBLRAKF-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 | 2-heteroaryl carboxamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidazacycleheteroaromatic compoundcarboxamide group2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhexacarboxylic acid or derivativesimidolactamorganoheterocyclic compoundorganooxygen compound |
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