| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:26 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O3 |
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| Molecular Mass | 312.1474 |
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| SMILES | NC(CCCCN1Cc2cccc3cccc(c23)C1=O)C(=O)O |
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| InChI Key | SXCVPGXCGYRWBT-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoquinolonemedium-chain fatty acidazacyclecarboxamide groupamino fatty acidmonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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