| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:45 UTC |
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| Update Date | 2025-03-25 00:46:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N3O8P |
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| Molecular Mass | 401.0988 |
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| SMILES | Cc1cc2c(N)nc(=O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2cc1C |
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| InChI Key | AQTVCFKPPSJSMS-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 | 1,2-diolsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonesquinazolinaminessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepentose-5-phosphatepyrimidonepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholquinazolinaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundquinazolineorganic phosphoric acid derivativeaminealkyl phosphate |
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