| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:30 UTC |
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| Update Date | 2025-03-21 18:37:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116406 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C10H15N3O12P2 |
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| Molecular Mass | 431.0131 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)c(=O)n1 |
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| InChI Key | LTOWSTJNKKVBNA-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-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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