| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:03 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148885 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23NO4 |
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| Molecular Mass | 269.1627 |
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| SMILES | COc1ccc(C(O)C(O)CCN(C)C)cc1OC |
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| InChI Key | RCNGVUSPMMMTSN-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 | 1,2-diols1,3-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretheralkyl aryl etherdimethoxybenzenephenylbutylamineo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundtertiary amine1,2-diolalcohol1,3-aminoalcoholtertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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