| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H27NO2 |
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| Molecular Mass | 325.2042 |
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| SMILES | COc1ccc(C2(CCCN(C)C)CCc3cc(O)ccc32)cc1 |
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| InChI Key | BAJQPDDHPJNKMQ-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 homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesindanesmethoxybenzenesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol etherethertertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundalkyl aryl ethermethoxybenzenephenylbutylamineorganic oxygen compoundanisoleindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundaminetertiary amineorganooxygen compound |
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