| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:21 UTC |
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| Update Date | 2025-03-21 17:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013974 |
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| Frequency | 317.2 |
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| Structure | |
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| Chemical Formula | C17H25NO4 |
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| Molecular Mass | 307.1784 |
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| SMILES | CC(C)NCC(O)COc1ccc(CC2CCC(=O)O2)cc1 |
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| InChI Key | ASGXICAWDYMIDS-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 heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary aminegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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