| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:21 UTC |
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| Update Date | 2025-03-21 18:35:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106301 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C9H11N2O9P |
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| Molecular Mass | 322.0202 |
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| SMILES | O=c1ccn(C2OC3C(O)OP(=O)(O)OC3C2O)c(=O)[nH]1 |
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| InChI Key | VLVKSCBHRUFJEB-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 derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivative |
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