| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:18 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23N2O4+ |
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| Molecular Mass | 319.1652 |
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| SMILES | C[N+](C)(C)C(CC(=O)O)OC(=O)CCc1c[nH]c2ccccc12 |
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| InChI Key | WQFMBJPUSMBFNV-UHFFFAOYSA-O |
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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 compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrrolestetraalkylammonium salts |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltazacycleheteroaromatic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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