| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:40 UTC |
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| Update Date | 2025-03-25 00:59:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O11P2 |
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| Molecular Mass | 416.0386 |
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| SMILES | Cn1c(=O)ccn(C2OC(COP(=O)(O)O)C(CP(=O)(O)O)C2O)c1=O |
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| InChI Key | ZHMSENSAPLTHDU-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 phosphatesorganic oxidesorganic phosphonic acids and derivativesorganonitrogen compoundsorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | lactamaromatic heteromonocyclic compoundpentose phosphatepyrimidonepyrimidineureaorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundorganophosphonic acid derivativeorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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