| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:43 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030631 |
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| Frequency | 121.3 |
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| Structure | |
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| Chemical Formula | C29H35NO3 |
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| Molecular Mass | 445.2617 |
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| SMILES | COc1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 |
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| InChI Key | AKBDKFYJKSQTGA-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 | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundsphenylbutylaminespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanephenol etheretheraromatic heteromonocyclic compoundalkyl aryl etherphenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminemethoxybenzenetertiary alcoholorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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