| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:39 UTC |
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| Update Date | 2025-03-25 00:50:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22N4O6 |
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| Molecular Mass | 438.1539 |
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| SMILES | Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc1[nH]2)c(CC(=O)O)c4CCC(=O)O)N3 |
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| InChI Key | YYKLDEWJKBPGSM-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrrolessecondary amines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidheteroaromatic compoundtricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compoundorganooxygen compoundamine |
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