| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:12 UTC |
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| Update Date | 2025-03-25 01:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247613 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25N3O5 |
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| Molecular Mass | 363.1794 |
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| SMILES | CC(C)NCC(O)COc1cccc2c(C(=O)CC(N)C(=O)O)c[nH]c12 |
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| InChI Key | XUJDNTDZEKWHDG-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdialkylaminesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol etherspyrrolessecondary alcoholsvinylogous amides |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneamino acidindolealkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminearyl ketone |
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