| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:28 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22N2O6 |
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| Molecular Mass | 374.1478 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C(O)CC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | MVVQZOABWJLKSL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | aromatic alcoholcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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