| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:17 UTC |
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| Update Date | 2025-03-21 18:32:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089045 |
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| Frequency | 31.8 |
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| Structure | |
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| Chemical Formula | C16H26N2O18P2 |
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| Molecular Mass | 596.0656 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | AJAIMSZAIWSAFA-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 | hexose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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