| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:49 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO2+ |
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| Molecular Mass | 208.1332 |
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| SMILES | COc1cc2c(cc1OC)[N+](C)(C)CC2 |
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| InChI Key | PPBLQVLOYGCSGB-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 derivativesorganic cationsorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | phenol etheretherazacycleindolequaternary ammonium saltalkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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