| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:44 UTC |
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| Update Date | 2025-03-25 00:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230389 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O9P |
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| Molecular Mass | 352.0672 |
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| SMILES | CCOP(=O)(O)OCC1OC(c2c[nH]c(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | NEODRBLNJSBIML-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-diolsazacyclic compoundsdialkyl ethersdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | etherlactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatepyrimidonedialkyl etherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphatephosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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