| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:51 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=C1OC(C(O)CO)C2OC2C1O |
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| InChI Key | DEOGLZLXUHWOLG-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 | dioxepanes |
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| Subclass | 1,4-dioxepanes |
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| Direct Parent | 1,4-dioxepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdelta valerolactonesdialkyl ethersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | carbonyl groupetherdelta valerolactonemonosaccharidecarboxylic acid derivativedialkyl etherlactonealiphatic heteropolycyclic compoundsaccharideorganic oxideoxaneprimary alcoholdelta_valerolactonealcohol1,4-dioxepaneoxiraneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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