| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:34 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073126 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C13H20N2O4 |
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| Molecular Mass | 268.1423 |
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| SMILES | Nc1ccc(C(=O)OCCN(CCO)CCO)cc1 |
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| InChI Key | BVUBZRZWZTXWFR-UHFFFAOYSA-N |
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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-aminoalcoholsalcohols and polyolsamino acids and derivativesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminestrialkylamines |
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| Substituents | amino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealkanolaminealcohol1,2-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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