| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:58 UTC |
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| Update Date | 2025-03-21 18:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100429 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C13H19NO3 |
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| Molecular Mass | 237.1365 |
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| SMILES | CN(C)CCCC(O)(C(=O)O)c1ccccc1 |
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| InChI Key | LEUAYHYYJFCVAP-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminehydroxy acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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