| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:42 UTC |
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| Update Date | 2025-03-21 18:28:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071005 |
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| Frequency | 57.5 |
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| Structure | |
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| Chemical Formula | C8H12N3O9P |
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| Molecular Mass | 325.0311 |
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| SMILES | O=c1ncn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1 |
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| InChI Key | YZLLPWHWZUTBEL-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 | 1,3,5-triazinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuranstriazinones |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineorganic nitrogen compoundorganic phosphoric acid derivativetriazinonealkyl phosphate |
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