| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:43 UTC |
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| Update Date | 2025-03-21 18:07:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068673 |
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| Frequency | 44.1 |
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| Structure | |
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| Chemical Formula | C10H15Cl2N3O10P2 |
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| Molecular Mass | 468.961 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | YBJHRZXKXZHSRC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic phosphonic acids and derivatives |
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| Subclass | bisphosphonates |
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| Direct Parent | bisphosphonates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsphosphonic acid estersprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidepyrimidoneorganohalogen compoundpyrimidinephosphonic acid estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganoheterocyclic compound1,2-diolalcoholbisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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