| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:30 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O5 |
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| Molecular Mass | 281.1012 |
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| SMILES | CC1(C)OC2OC3C(OC3n3ccc(N)nc3=O)C2O1 |
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| InChI Key | LBTLVMXWMPUOJK-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 | 1,3-dioxolanesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsketalsorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxetanesprimary aminespyrimidonestetrahydrofurans |
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| Substituents | meta-dioxolanepyrimidonepyrimidineorganic oxideacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundimidolactamcarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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