| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:38 UTC |
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| Update Date | 2025-03-21 18:06:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066031 |
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| Frequency | 46.3 |
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| Structure | |
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| Chemical Formula | C9H16N2O17P4 |
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| Molecular Mass | 547.9399 |
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| SMILES | O=c1ccn(C2CC(O)C(COP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |
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| InChI Key | ICTNETQCSGUDAI-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 oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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