| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:07 UTC |
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| Update Date | 2025-03-21 18:03:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046041 |
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| Frequency | 72.9 |
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| Structure | |
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| Chemical Formula | C13H18N2O4PS+ |
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| Molecular Mass | 329.0719 |
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| SMILES | Cc1ccc(C[n+]2csc(CCOP(=O)(O)O)c2C)cn1 |
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| InChI Key | OGWPMZRMKYQKBL-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazoleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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