| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099546 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C13H22N2O14P2 |
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| Molecular Mass | 492.0546 |
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| SMILES | O=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OCC(O)C(O)CO)O2)c(=O)[nH]1 |
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| InChI Key | IVXZWNBHYLXECW-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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