| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:51 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226277 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3 |
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| Molecular Mass | 262.1317 |
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| SMILES | CC(NCC(O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | JAAYOPXRHNYXKU-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativessecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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