| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:51 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249027 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO2 |
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| Molecular Mass | 231.1259 |
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| SMILES | COc1ccc2c(c1)C13CC(C2)C(CO1)N3C |
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| InChI Key | XIJRLAJPCGBQLN-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 | alkyl aryl ethersanisolesazacyclic compoundsazepineshydrocarbon derivativesn-alkylpyrrolidinesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesoxazolidinesoxocinstetralins |
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| Substituents | tetralinphenol etheretherazacyclen-alkylpyrrolidinealkyl aryl etheroxacycleorganic oxygen compoundazepineoxazolidinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundoxanebenzazepinepyrrolidineorganooxygen compoundoxocin |
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