| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:13 UTC |
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| Update Date | 2025-03-25 00:46:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO11P |
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| Molecular Mass | 395.0617 |
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| SMILES | CC(=O)C1=CN(C2OC(COP(=O)(O)O)C(O)C2O)C(O)C=C1C(=O)O |
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| InChI Key | ZYSYJMSMWRBDBZ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkanolaminesazacyclic compoundscarboxylic acidsdihydropyridinesgamma-keto acids and derivativeshydrocarbon derivativesketonesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpentose phosphatepentose-5-phosphatecarboxylic acid derivativeketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compoundalkanolamine1,2-diolalcoholvinylogous amideazacycletetrahydrofurangamma-keto acidoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphateketo acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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