| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:40 UTC |
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| Update Date | 2025-03-21 18:34:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102150 |
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| Frequency | 26.7 |
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| Structure | |
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| Chemical Formula | C18H18N2O2 |
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| Molecular Mass | 294.1368 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 |
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| InChI Key | TYQYRKDGHAPZRF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzyloxycarbonylscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | benzyloxycarbonylfatty acylmonocyclic benzene moietycarbonyl groupindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacycleheteroaromatic compoundindole or derivativesfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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