| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:01 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045805 |
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| Frequency | 73.4 |
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| Structure | |
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| Chemical Formula | C11H14N2O6 |
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| Molecular Mass | 270.0852 |
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| SMILES | O=c1ccn(C2OC(CO)C3C(CO)OC32)c(=O)[nH]1 |
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| InChI Key | ZNQZCQYZRZHGRI-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 oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholspyrimidonestetrahydrofuransvinylogous amides |
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| Substituents | etherlactampyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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