| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:03 UTC |
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| Update Date | 2025-03-21 18:30:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081526 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C28H31NO2 |
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| Molecular Mass | 413.2355 |
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| SMILES | O=C(CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)c1ccccc1 |
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| InChI Key | AZWQQSYTCLTQJJ-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-phenylketonesaromatic alcoholsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbutyrophenonesgamma-amino ketoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylbutylaminespiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanearyl alkyl ketonearomatic heteromonocyclic compoundbenzoylketoneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholgamma-aminoketoneazacycletertiary aliphatic aminephenylketonebutyrophenonetertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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