| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:52 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180484 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO3 |
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| Molecular Mass | 265.1678 |
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| SMILES | COc1ccc(C(O)CCCN2CCC(O)C2)cc1 |
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| InChI Key | CLMQYCMWTJQGEX-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundshydrocarbon derivativesmethoxybenzenesn-alkylpyrrolidinesorganopnictogen compoundsphenoxy compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretheraromatic heteromonocyclic compoundalkyl aryl etherphenylbutylamineorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic aminemethoxybenzeneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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