| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:27 UTC |
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| Update Date | 2025-03-25 00:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O4 |
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| Molecular Mass | 294.158 |
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| SMILES | NCCCCC(C(=O)O)N1CCc2cc(O)c(O)cc2C1 |
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| InChI Key | GOLHPTHIBUVCNH-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 | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamino fatty acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidaralkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidtertiary amineazacycletertiary aliphatic amineamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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