| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:47 UTC |
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| Update Date | 2025-03-25 00:52:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO5 |
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| Molecular Mass | 307.142 |
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| SMILES | CC1=CC(=O)NC1C=CC1C(=O)OC(C)(CCC(=O)O)C1C |
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| InChI Key | RFJLRZCBGREYIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolinessecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl grouplactamcarboxylic acidazacycletetrahydrofurancarboxamide groupcarboxylic acid derivativegamma butyrolactoneoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinecarboxylic acid esteraliphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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