| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25NO7 |
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| Molecular Mass | 379.1631 |
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| SMILES | CC(=O)c1c(N)c(CCC(=O)O)c(C)c(CCC(=O)O)c1CCCC(=O)O |
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| InChI Key | JHPSVYSNFUCRBF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesamino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidsprimary aminestoluenestricarboxylic acids and derivativesvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidbenzoyltricarboxylic acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundacetophenoneorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundtolueneaminealkyl-phenylketone |
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