| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:31 UTC |
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| Update Date | 2025-03-25 00:53:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200148 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N4O2 |
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| Molecular Mass | 232.096 |
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| SMILES | Cc1ncc(C(N)=O)c(NCc2ccco2)n1 |
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| InChI Key | CNJIEFYDINYPHN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidefuranaromatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamvinylogous amideazacycleheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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