| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:07 UTC |
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| Update Date | 2025-03-25 00:58:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O10 |
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| Molecular Mass | 417.1383 |
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| SMILES | CC(=O)NC1C(O)CC(Cn2c(C(=O)O)cc(=O)[nH]c2=O)OC1C(O)C(O)CO |
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| InChI Key | ROVSBSUFNBUEQK-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupetherlactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonecarboxylic acid derivativedialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholpyrimidine-6-carboxylic acidacetamidealcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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