| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:44 UTC |
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| Update Date | 2025-03-25 00:52:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196033 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N2O8P |
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| Molecular Mass | 308.041 |
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| SMILES | CC1(COP(=O)(O)O)OC(n2ccc(=O)[nH]c2=O)C1O |
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| InChI Key | HHWYIMYVCMSSIQ-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 compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanessecondary alcoholsvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpyrimidoneorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphateoxetanesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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