| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:57 UTC |
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| Update Date | 2025-03-21 18:36:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110236 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C18H25N3O4 |
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| Molecular Mass | 347.1845 |
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| SMILES | COc1ccc2[nH]cc(CC(N=C(O)C(N)CC(C)C)C(=O)O)c2c1 |
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| InChI Key | ZCBHIAUDGUSWPY-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 ethersanisolesazacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | phenol ethercarboximidic acidcarbonyl groupethercarboxylic acidindolealkyl aryl etherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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