| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:09 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213283 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O4S |
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| Molecular Mass | 326.13 |
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| SMILES | CN1CCc2cc(O)c(O)cc2C1CSCCC(N)C(=O)O |
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| InChI Key | QEILRYTZYSXKBL-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 acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidstrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydroxy fatty acidtertiary aminesulfenyl compoundazacycledialkylthioethertertiary aliphatic aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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