| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O2 |
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| Molecular Mass | 233.1164 |
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| SMILES | COC(=O)C1c2ccccc2CCN1C(=N)N |
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| InChI Key | MSOMVEDWJGSMAU-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 acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidesguanidineshydrocarbon derivativesiminesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstetrahydroisoquinolines |
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| Substituents | carbonyl groupalpha-amino acid esterazacycleguanidineiminecarboximidamideorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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