| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:54 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N3O8P |
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| Molecular Mass | 347.0519 |
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| SMILES | O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(O)O)O2)c2[nH]ccc12 |
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| InChI Key | NYFIPONMXSZNFL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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