| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:33 UTC |
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| Update Date | 2025-03-21 18:03:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042217 |
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| Frequency | 81.0 |
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| Structure | |
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| Chemical Formula | C14H21N2O+ |
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| Molecular Mass | 233.1648 |
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| SMILES | COc1ccc2[nH]cc(CC[N+](C)(C)C)c2c1 |
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| InChI Key | XWQNTAWSTZCAMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | Not Available |
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| Subclass | alkaloids and derivatives |
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| Direct Parent | alkaloids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminesanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesorganic cationsorganic saltsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | phenol etheretherindolealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundindole or derivativesalkaloid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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