| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:54 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27NO4 |
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| Molecular Mass | 321.194 |
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| SMILES | CC(C)NCC(O)COc1ccc(CC2CCCC(=O)O2)cc1 |
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| InChI Key | BBZCEYMBXNXMAH-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 estersdelta valerolactonesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesdelta valerolactonealkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compoundalcoholsecondary aliphatic aminesecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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