| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:25 UTC |
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| Update Date | 2025-03-25 00:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO2 |
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| Molecular Mass | 271.1572 |
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| SMILES | COc1ccc2cccc(C(=O)CCCN(C)C)c2c1 |
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| InChI Key | XQEIRUFABFHHKH-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 | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesgamma-amino ketoneshydrocarbon derivativesnaphthalenesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | phenol ethergamma-aminoketoneetheraryl alkyl ketonetertiary aliphatic aminearomatic homopolycyclic compoundalkyl aryl etherketonebutyrophenoneorganic oxidenaphthaleneorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compoundaryl ketone |
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