| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O3 |
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| Molecular Mass | 154.0378 |
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| SMILES | COc1cnc(C(=O)O)nc1 |
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| InChI Key | WJCNQFLMFOMNJR-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | pyrimidine-2-carboxylic acidethercarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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