| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO2 |
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| Molecular Mass | 235.1572 |
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| SMILES | COc1ccc(CCN2CCC(O)CC2)cc1 |
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| InChI Key | PPLYNWAYZZZBBZ-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 | phenethylamines |
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| Direct Parent | phenethylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundspiperidinessecondary alcoholstrialkylamines |
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| Substituents | phenol etheretheraromatic heteromonocyclic compoundalkyl aryl etherphenethylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminemethoxybenzeneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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