| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:39 UTC |
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| Update Date | 2025-03-25 00:48:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O3 |
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| Molecular Mass | 209.08 |
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| SMILES | CC(C)=CC(=O)c1c(N)[nH]c(=O)[nH]c1=O |
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| InChI Key | VRZHWEIPDDZDEZ-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 ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha,beta-unsaturated ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonealpha,beta-unsaturated ketonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganoheterocyclic compoundaryl ketone |
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