| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:54 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C37H40BrNO4 |
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| Molecular Mass | 641.2141 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(OCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c2ccc(Br)cc2)cc1 |
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| InChI Key | WZUWXPMFVGVCIX-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 acidsaromatic alcoholsaryl bromidesazacyclic compoundsbenzylethersbromobenzenescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganopnictogen compoundsphenylpropanespiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanecarbonyl groupethercarboxylic acidbenzyletheraromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compounddialkyl etherphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminebromobenzenearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideamineorganooxygen compound |
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