| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:10:18 UTC |
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| Update Date | 2025-03-24 19:56:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01081937 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CN1C2C3OC3C1C1OC12 |
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| InChI Key | QWMGNJPHOKTOEK-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersepoxideshydrocarbon derivativesmorpholinesn-alkylpyrrolidinesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | etherazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiranedialkyl etheroxazinanealiphatic heteropolycyclic compoundoxepaneoxacyclemorpholineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineaminetertiary amineorganooxygen compound |
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