| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153482 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | COc1ccc2c(c1)C1COC(C2)N1C |
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| InChI Key | BJWMMEFBHCLDRG-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 | benzoxepines |
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| Subclass | benzoxepines |
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| Direct Parent | benzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundshemiaminalshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolidinestetrahydroisoquinolines |
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| Substituents | phenol etheretherazacyclebenzoxepinealkyl aryl etherhemiaminaloxacycleorganic oxygen compoundoxazolidinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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