| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:45 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18NO+ |
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| Molecular Mass | 204.1383 |
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| SMILES | COc1ccc2c(c1)CC[N+]21CCCC1 |
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| InChI Key | ZDUKIXKAIXSBCY-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminesanisolesazacyclic compoundshydrocarbon derivativesn-alkylpyrrolidinesorganic cationsorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | phenol etheretherazacyclen-alkylpyrrolidineindolequaternary ammonium saltalkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltpyrrolidineamineorganooxygen compound |
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