| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:29 UTC |
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| Update Date | 2025-03-25 00:54:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O4 |
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| Molecular Mass | 172.0736 |
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| SMILES | CC1(C)OC2COC(=O)C2C1O |
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| InChI Key | APUYZQIYRYVTRV-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 ethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethertetrahydrofuranmonosaccharidecarboxylic acid derivativedialkyl ethergamma butyrolactonelactonealiphatic heteropolycyclic compoundoxacyclesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfurofurancarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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