| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:52 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226315 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N5O8 |
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| Molecular Mass | 361.1234 |
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| SMILES | CC(O)C(N)C(=O)Nc1nc(=O)n(C2OC(CO)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | ONCOKMDDIDATES-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminotriazinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amideshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonosaccharidesn-arylamidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidestetrahydrofuranstriazinones |
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| Substituents | fatty acylcarbonyl groupamino-1,3,5-triazinearomatic heteromonocyclic compoundfatty amidemonosacchariden-arylamidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativealpha-amino acid amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundhalo-s-triazinesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary aliphatic amineorganic nitrogen compoundtriazinoneorganooxygen compound |
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