| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:17 UTC |
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| Update Date | 2025-03-25 00:56:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220525 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2 |
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| Molecular Mass | 168.0899 |
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| SMILES | O=C(O)CNCCn1cccc1 |
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| InChI Key | IQJJUFXQRCRLII-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidsubstituted pyrroleorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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