| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220307 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO9P |
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| Molecular Mass | 337.0563 |
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| SMILES | COc1cccn(C2OC(COP(=O)(O)O)C(O)C2O)c1=O |
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| InChI Key | NCSCIMDRXVEBNR-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridinonessecondary alcoholstetrahydrofurans |
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| Substituents | etherlactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatealkyl aryl etherorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativealkyl phosphate |
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