| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:34 UTC |
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| Update Date | 2025-03-25 00:52:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193373 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29N2O2+ |
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| Molecular Mass | 329.2224 |
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| SMILES | CCCCC=CC(=O)OC(Cc1c[nH]c2ccccc12)[N+](C)(C)C |
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| InChI Key | NDKQJJDXIOADPK-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 | azacyclic compoundsbenzenoidscarbonyl compoundsenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupindolecarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltenoate estertetraalkylammonium saltazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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