| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:04 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155958 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21N2O2+ |
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| Molecular Mass | 261.1598 |
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| SMILES | C[N+](C)(C)CC(=O)CC(O)c1c[nH]c2ccccc12 |
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| InChI Key | CBACPODYJSLIBU-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 | alpha-amino ketonesaminesaromatic alcoholsazacyclic compoundsbenzenoidsbeta-hydroxy ketonesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrrolessecondary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholbeta-hydroxy ketonecarbonyl groupindoleketoneorganic oxidealpha-aminoketonearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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