| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:08 UTC |
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| Update Date | 2025-03-21 18:40:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129761 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C27H38N2O4 |
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| Molecular Mass | 454.2832 |
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| SMILES | CC(C)(CO)C(O)C(=O)NCCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 |
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| InChI Key | BKBNMBQBZNVWCG-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 acids and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganopnictogen compoundspiperidinessecondary alcoholssecondary carboxylic acid amidestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholfatty acyldiphenylmethanecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesfatty amidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amidetertiary alcoholorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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