| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:17 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3 |
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| Molecular Mass | 183.0895 |
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| SMILES | COC(=O)C(N)Cc1ccc(C)o1 |
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| InChI Key | DEIGYJIURQCEDZ-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundsfatty acid estersfuransheteroaromatic compoundshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | fatty acylfurancarbonyl grouparomatic heteromonocyclic compoundalpha-amino acid esterheteroaromatic compoundoxacyclefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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