| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:42 UTC |
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| Update Date | 2025-03-25 00:46:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O6 |
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| Molecular Mass | 254.0539 |
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| SMILES | O=C1OC(CO)C2OC(n3ccc(=O)[nH]c3=O)C12 |
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| InChI Key | HSTYUYAKZSMFPL-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 | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholspyrimidonestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactampyrimidonecarboxylic acid derivativepyrimidinelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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