| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:45 UTC |
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| Update Date | 2025-03-25 00:58:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228267 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H27N3O3 |
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| Molecular Mass | 417.2052 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=Cc3c(C)ccc(C)c3N)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | OVIHFXBDBQFBGV-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 | xylenes |
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| Direct Parent | p-xylenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketimineslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidiminecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundpyrrolinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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