| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:32 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O14P2 |
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| Molecular Mass | 489.0186 |
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| SMILES | NC(C(=O)O)C(=O)OP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O |
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| InChI Key | VQIACTRPHYFNLV-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 | 1,3-dicarbonyl compoundsacyl phosphatesalpha amino acidsazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphosphoethanolaminespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidinephosphoethanolamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganic phosphoric acid derivativealkyl phosphateacyl phosphate |
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