| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O4 |
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| Molecular Mass | 330.158 |
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| SMILES | CC1C2CCN(C(=O)N2)C1Oc1ccc(CC2CCC(=O)O2)cc1 |
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| InChI Key | KZJQQHIEROMWRC-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 | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid estersdiazinanesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspiperidinespyrimidonestetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouppyrimidonecarboxylic acid derivativepyrimidinelactone1,3-diazinaneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidineorganoheterocyclic compoundcarbonic acid derivativeazacycletetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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