Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:49:33 UTC |
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Update Date | 2025-03-25 00:49:55 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02177518 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C18H28NO9P |
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Molecular Mass | 433.1502 |
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SMILES | Cc1cc2cc(C)c(C)n(CC(O)C(O)C(O)C(O)C(O)COP(=O)(O)O)c-2c1 |
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InChI Key | OHOYKNCIBPXGPM-UHFFFAOYSA-N |
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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 heteropolycyclic compounds |
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Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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Substituents | polyhalopyridinemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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