| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:21 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156594 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O7 |
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| Molecular Mass | 232.0583 |
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| SMILES | O=C1CC2C(=O)OC(C(O)CO)C(O)C2O1 |
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| InChI Key | QZOFJTVBGYLKBI-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 | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl grouptetrahydrofurandelta valerolactonemonosaccharidecarboxylic acid derivativegamma butyrolactonealiphatic heteropolycyclic compoundoxacyclesaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneprimary alcoholdelta_valerolactoneorganooxygen compound |
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