| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:40 UTC |
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| Update Date | 2025-03-21 18:05:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054263 |
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| Frequency | 59.4 |
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| Structure | |
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| Chemical Formula | C10H14NO9P |
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| Molecular Mass | 323.0406 |
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| SMILES | O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)cc1O |
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| InChI Key | OPBQQJHILMOCHU-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 | 1,2-diolsazacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatecyclic ketoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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