| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:34 UTC |
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| Update Date | 2025-03-21 18:39:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126012 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C18H22N2O5 |
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| Molecular Mass | 346.1529 |
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| SMILES | CC(C)CC(N=C(O)C(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | QNJYOBBLJJJOBU-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 acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidindolepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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