| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:01 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235680 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO |
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| Molecular Mass | 203.131 |
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| SMILES | COc1ccc2c(c1)C1CCCN1C2C |
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| InChI Key | CEJLJQMPPCRDFD-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 | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesisoindolinesn-alkylpyrrolidinesorganopnictogen compoundstrialkylamines |
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| Substituents | phenol etheretherazacyclen-alkylpyrrolidineisoindoletertiary aliphatic aminealkyl aryl etheraralkylamineorganic oxygen compoundisoindolinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidineaminetertiary amineorganooxygen compound |
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