| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:30 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234457 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N2O8P |
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| Molecular Mass | 320.041 |
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| SMILES | O=c1ccn(C2OC3C(COP(=O)(O)O)OCC32)c(=O)[nH]1 |
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| InChI Key | ZSQQFSTYJLQRAN-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 heteropolycyclic compounds |
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| Alternative Parents | 1,4-dioxepanesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanespyrimidonestetrahydrofuransvinylogous amides |
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| Substituents | etherlactampentose phosphatepyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compounddioxepaneoxacyclephosphoric acid estermonoalkyl phosphateoxetanehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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