| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:05 UTC |
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| Update Date | 2025-03-25 00:47:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14N2O6 |
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| Molecular Mass | 306.0852 |
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| SMILES | O=C(O)CC(NOC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | ULWFXJSWHDTJBQ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid saltscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrrolestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidindoletricarboxylic acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic saltorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundpyrroleaspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundcarboxylic acid saltorganooxygen compound |
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