| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:56 UTC |
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| Update Date | 2025-03-25 00:50:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O6 |
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| Molecular Mass | 242.0539 |
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| SMILES | O=c1ccn(C2OC3OC3C(O)C2O)c(=O)[nH]1 |
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| InChI Key | KNBOTIWVMKYGCK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dioxepanes |
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| Subclass | 1,3-dioxepanes |
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| Direct Parent | 1,3-dioxepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsepoxidesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | 1,3-dioxepanelactammonosaccharidepyrimidonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxane1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundoxiraneoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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