| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:29:15 UTC |
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| Update Date | 2025-03-24 14:26:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00841155 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C7H12O3 |
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| Molecular Mass | 144.0786 |
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| SMILES | CC1(C)CC2OCC(O2)O1 |
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| InChI Key | PNTQPXFLRVSNEP-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 | 1,3-dioxanes1,3-dioxolanesacetalshydrocarbon derivativesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aliphatic heteropolycyclic compoundoxacyclemeta-dioxolaneorganic oxygen compoundacetal1,4-dioxepanehydrocarbon derivativemeta-dioxaneorganooxygen compound |
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