| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:20 UTC |
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| Update Date | 2025-03-21 18:03:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041713 |
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| Frequency | 82.2 |
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| Structure | |
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| Chemical Formula | C8H8O3 |
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| Molecular Mass | 152.0473 |
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| SMILES | O=C1CCC(c2ccco2)O1 |
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| InChI Key | RWLBNGGHUARSNI-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 | carbonyl compoundscarboxylic acid estersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundtetrahydrofuranheteroaromatic compoundcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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