| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:01 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26BrNO3 |
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| Molecular Mass | 431.1096 |
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| SMILES | O=C(O)CCCN1CCC(C(O)(c2ccccc2)c2ccc(Br)cc2)CC1 |
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| InChI Key | QUBVAGGVNJKNEM-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 | amino acidsamino fatty acidsaromatic alcoholsaryl bromidesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganopnictogen compoundspiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholfatty acyldiphenylmethanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminebromobenzeneamino fatty acidaryl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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