| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200112 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO10P2 |
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| Molecular Mass | 357.0015 |
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| SMILES | Cc1ncc(CCOP(=O)(O)OP(=O)(O)O)c(C(=O)O)c1O |
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| InChI Key | ASIMWPTYBKWDFF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic pyrophosphatevinylogous acidmonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatepyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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