| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:14 UTC |
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| Update Date | 2025-03-21 18:33:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098632 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C28H33NO3 |
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| Molecular Mass | 431.246 |
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| SMILES | Oc1cccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 |
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| InChI Key | FCQYLYWCNYFIQS-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsazacyclic compoundshydrocarbon derivativesorganopnictogen compoundsphenylbutylaminespiperidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidphenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidtertiary alcoholorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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