| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:22 UTC |
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| Update Date | 2025-03-21 18:35:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106346 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C23H27NO4 |
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| Molecular Mass | 381.194 |
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| SMILES | O=C(O)C(=O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 |
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| InChI Key | DOXXMIBSSYHCLZ-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaromatic alcoholsazacyclic compoundscarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholgamma-aminoketoneazacycletertiary aliphatic aminetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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