| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:19 UTC |
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| Update Date | 2025-03-25 00:56:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H31N2O16P3 |
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| Molecular Mass | 636.0886 |
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| SMILES | Cc1cc2ncn(CC(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(COP(=O)(O)O)C(O)C3O)c2cc1C |
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| InChI Key | AWRWTEJBCPQTRV-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 compoundsbenzenoidsbenzimidazolesdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | etherpentose phosphatepentose-5-phosphatedialkyl etherorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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