| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:33 UTC |
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| Update Date | 2025-03-25 00:59:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234561 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24N2O4 |
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| Molecular Mass | 344.1736 |
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| SMILES | Cc1c(CCC(=O)O)c[nH]c1CC1c2cc(O)c(O)cc2CCN1C |
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| InChI Key | QMUXYFKEBOSGSO-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 acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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