| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:03 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O7 |
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| Molecular Mass | 286.0801 |
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| SMILES | O=C(O)CC(O)(CCn1ccc(=O)[nH]c1=O)CC(=O)O |
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| InChI Key | GPPHVEIWMMWHHT-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 | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary alcoholsvinylogous amides |
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| Substituents | alcoholvinylogous amidecarbonyl groupcarbonic acid derivativelactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativetertiary alcoholorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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