| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:49 UTC |
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| Update Date | 2025-03-25 00:59:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O2 |
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| Molecular Mass | 192.0899 |
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| SMILES | NCC(=NCC(=O)O)c1ccccc1 |
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| InChI Key | HTAAEWIXIUARSC-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 homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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