| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:35 UTC |
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| Update Date | 2025-03-25 00:57:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31N4O18P3 |
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| Molecular Mass | 708.0846 |
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| SMILES | NC(=O)C1=CN(C2OC(CO[PH](O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)CC3O)C(O)C2O)C=CC1 |
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| InChI Key | OXHWJHJISJHWKS-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesn-substituted nicotinamidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactamaromatic heteromonocyclic compoundpentose phosphatenicotinamidepyrimidonecarboxylic acid derivativepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateenamine |
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