| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:53 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201013 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO4 |
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| Molecular Mass | 305.1627 |
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| SMILES | COc1cc(CC2CCC(=O)O2)ccc1OC1CCN(C)C1 |
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| InChI Key | XKWFEQDNYCHAQX-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstetrahydrofuranstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetetrahydrofurantertiary aliphatic aminemethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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