| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:36 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186745 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N3O7P |
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| Molecular Mass | 317.0413 |
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| SMILES | Nc1ccn(C2OC3C4OP(=O)(O)OCC4OC32)c(=O)n1 |
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| InChI Key | UECUORRZLBOQEK-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 derivativesimidolactamsorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsoxetanesprimary aminespyrimidonestetrahydrofurans |
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| Substituents | etherpyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamcarbonic acid derivativeazacycletetrahydrofuran1,4-dioxepaneheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeamineorganooxygen compound |
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