| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:09 UTC |
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| Update Date | 2025-03-21 18:30:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081758 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C13H16NO8P |
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| Molecular Mass | 345.0614 |
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| SMILES | O=P(O)(O)OCC1OC(Oc2c[nH]c3ccccc23)C(O)C1O |
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| InChI Key | IOFJESMVEUDXNJ-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 | 1,2-diolsacetalsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphateindolepentose-5-phosphateorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativesoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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