| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:22 UTC |
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| Update Date | 2025-03-25 00:45:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O7P |
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| Molecular Mass | 320.0773 |
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| SMILES | Cc1c(N)n(C2CC(O)C(COP(=O)(O)O)O2)ccc1=O |
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| InChI Key | WVHNUIQCEJSHKH-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 | 2-halopyridinesazacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepolyhalopyridinecyclic ketoneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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