| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:28 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132867 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C10H15Cl2N3O9P2 |
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| Molecular Mass | 452.9661 |
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| SMILES | Nc1ccn(C2CC(O)C(COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)O2)c(=O)n1 |
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| InChI Key | IYYYJHNWBZWWCK-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 | alkyl 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 compoundalcoholbisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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