| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:01 UTC |
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| Update Date | 2025-03-21 18:00:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026720 |
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| Frequency | 153.8 |
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| Structure | |
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| Chemical Formula | C9H14N2O12P2 |
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| Molecular Mass | 404.0022 |
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| SMILES | O=c1ccn(C2OC(CO)C(O)C2OP(=O)(O)OP(=O)(O)O)c(=O)[nH]1 |
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| InChI Key | YYCAKPMDIJOKTF-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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