| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:26 UTC |
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| Update Date | 2025-03-25 00:56:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O |
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| Molecular Mass | 179.1059 |
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| SMILES | Cc1ncc(C(=O)C(C)C)c(N)n1 |
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| InChI Key | JNKCUJQHPDXFQT-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 | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganoheterocyclic compound |
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