| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:27 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O4 |
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| Molecular Mass | 260.1049 |
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| SMILES | O=C1CCC(Cc2cccc(C3CCC(=O)O3)c2)O1 |
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| InChI Key | NYQMHZWGFOVROC-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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