| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:51 UTC |
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| Update Date | 2025-03-21 18:37:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117257 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C10H12N2O7 |
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| Molecular Mass | 272.0645 |
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| SMILES | O=c1ccn(C2OC3C(O)C(O)OC3C2O)c(=O)[nH]1 |
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| InChI Key | AWAZFULYSBXZEQ-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 | furofurans |
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| Subclass | isosorbides |
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| Direct Parent | isosorbides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundshemiacetalsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamisosorbidemonosaccharidepyrimidonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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