| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:19 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149530 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N3O10P |
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| Molecular Mass | 391.0417 |
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| SMILES | O=C(O)c1cc2c(=O)[nH]cnc2n1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | DSCPKDPFKKHDPW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | pyrrolopyrimidine nucleosides and nucleotides |
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| Subclass | pyrrolopyrimidine nucleosides and nucleotides |
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| Direct Parent | pyrrolopyrimidine nucleosides and nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespyrimidinecarboxylic acidspyrimidonespyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativespyrrolo[2,3-d]pyrimidinessecondary alcoholssubstituted pyrrolestetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidpentose phosphatemonosaccharidepentose-5-phosphatepyrimidonesubstituted pyrrolecarboxylic acid derivativepyrimidinepyrrolopyrimidinesaccharideorganic oxidepyrrolo[2,3-d]pyrimidinepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpyrrolopyrimidine ribonucleosideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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