| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:21 UTC |
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| Update Date | 2025-03-25 00:55:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211377 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N3O10P |
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| Molecular Mass | 381.0573 |
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| SMILES | CC(=O)Nc1cc(C(=O)O)nn1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | XTGNOERRPQMTGB-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-diolsacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-acetylarylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundspyrazole ribonucleosides and ribonucleotidespyrazolessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphaten-arylamidecarboxylic acid derivativepyrazole1-ribofuranosylpyrazoleorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamideazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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