| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:02 UTC |
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| Update Date | 2025-03-25 00:53:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N4O11P2 |
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| Molecular Mass | 428.0134 |
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| SMILES | O=c1cc2n(C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3)cnn2c(=O)[nH]1 |
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| InChI Key | VFJUFWBHIXYRRR-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 oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuranstriazolestriazolopyrimidinesvinylogous amides |
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| Substituents | triazolelactampentose phosphatepyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtriazolopyrimidineorganoheterocyclic compoundazolealcoholvinylogous amidecarbonic acid derivative1,2,4-triazoleazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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