| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:44:07 UTC |
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| Update Date | 2025-03-25 01:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02441918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=C1OCC2C3OC3C12 |
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| InChI Key | WPJRRZJUQXGWOV-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 | furofurans |
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| Subclass | furofurans |
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| Direct Parent | furofurans |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdialkyl ethersepoxidesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanestetrahydrofurans |
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| Substituents | caprolactonecarbonyl groupethertetrahydrofuranoxiranecarboxylic acid derivativedialkyl ethergamma butyrolactonelactonealiphatic heteropolycyclic compoundoxepaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfurofurancarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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