| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:42 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25N3O6 |
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| Molecular Mass | 379.1743 |
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| SMILES | NC(CCNC(CCN1Cc2ccccc2CC1C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | VSLVSMNKQXFZOE-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 | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidtricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary aminesecondary aliphatic amineazacycletertiary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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