| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055100 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C18H28N2O4 |
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| Molecular Mass | 336.2049 |
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| SMILES | CC(C)NCC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1 |
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| InChI Key | BRUBIFGYSILWGP-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 heteromonocyclic compounds |
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| Alternative Parents | amphetamines and derivativescarbamate esterscarbonyl compoundsdialkyl ethersdialkylamineshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupetheraromatic heteromonocyclic compounddialkyl etherorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholsecondary aliphatic aminecarbonic acid derivativetetrahydrofurancarbamic acid estersecondary amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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