| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:52 UTC |
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| Update Date | 2025-03-25 00:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O8S |
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| Molecular Mass | 349.058 |
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| SMILES | NS(=O)(=O)OCC12OCC1C(n1ccc(=O)[nH]c1=O)OC2CO |
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| InChI Key | BZDIDQANECSNQQ-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 compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholspyrimidonestetrahydrofuransvinylogous amides |
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| Substituents | etherlactampyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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