| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:48 UTC |
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| Update Date | 2025-03-21 18:06:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061729 |
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| Frequency | 50.4 |
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| Structure | |
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| Chemical Formula | C8H13N3O12P2 |
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| Molecular Mass | 404.9974 |
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| SMILES | O=c1cnn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | KVJXZDYOBONHQV-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-triazines1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganic phosphoric acid derivativealkyl phosphate |
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