| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:04 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO4 |
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| Molecular Mass | 315.1471 |
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| SMILES | COc1cc2c(cc1O)CCN(C)CC2c1ccc(O)c(O)c1 |
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| InChI Key | RKMKINFYEMLSNL-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 | benzazepines |
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| Subclass | benzazepines |
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| Direct Parent | benzazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsazepinesbenzene and substituted derivativeshydrocarbon derivativesorganopnictogen compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetherazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganic oxygen compoundazepinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineaminetertiary amineorganooxygen compound |
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