| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:46 UTC |
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| Update Date | 2025-03-21 18:34:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099931 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C17H23N3O3 |
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| Molecular Mass | 317.1739 |
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| SMILES | CC(C)CC(N=C(N)C(O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | GCDPVCKSJAFLMU-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 | leucine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindoleamidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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