| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:31 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N2O3+ |
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| Molecular Mass | 253.1547 |
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| SMILES | C[N+](C)(C)CC(O)COC(=O)c1ccccc1N |
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| InChI Key | ZMBPCGZEALFPET-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsamino acids and derivativesbenzoyl derivativescarboxylic acid esterscholineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary aminessecondary alcoholstetraalkylammonium saltsvinylogous amides |
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| Substituents | amino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltalcoholvinylogous amidetetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcholinecarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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