| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:41 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO3 |
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| Molecular Mass | 269.1052 |
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| SMILES | O=C(O)c1ccc(N2CCc3ccc(O)cc3C2)cc1 |
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| InChI Key | KIXNJSQSSBSTQE-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 benzenoidsamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesaralkylaminesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineazacycleaniline or substituted anilinesbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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