| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:31 UTC |
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| Update Date | 2025-03-21 18:04:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053916 |
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| Frequency | 59.9 |
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| Structure | |
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| Chemical Formula | C10H14Cl2N2O11P2 |
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| Molecular Mass | 469.945 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | PGSZDXRBWLOAPU-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 derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsphosphonic acid esterspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidepyrimidoneorganohalogen compoundpyrimidinephosphonic acid estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideorganoheterocyclic compound1,2-diolalcoholvinylogous amidebisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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