| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:51 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N2O15P3 |
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| Molecular Mass | 497.9842 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)C(O)(P(=O)(O)O)P(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | SVLROYOVBWTLMU-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-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsphosphonic acid esterspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonepyrimidinephosphonic acid estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidebisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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