| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:35:55 UTC |
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| Update Date | 2025-03-21 19:58:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00287380 |
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| Frequency | 7.0 |
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| Structure | |
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| Chemical Formula | C5H7N3O |
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| Molecular Mass | 125.0589 |
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| SMILES | COc1ccnc(N)n1 |
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| InChI Key | YNXLSFXQTQKQEF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivatives |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkyl aryl etherpyrimidineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compound |
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