| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179799 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N3O3+ |
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| Molecular Mass | 328.1656 |
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| SMILES | COc1ccc2[nH]c3c[n+](CCCCC(N)C(=O)O)ccc3c2c1 |
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| InChI Key | AZVFVOFIPBICLV-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 | pyridoindoles |
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| Direct Parent | beta carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino fatty acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidheterocyclic fatty acidindolepolyhalopyridinefatty acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolepyrrolebeta-carbolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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