| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:41 UTC |
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| Update Date | 2025-03-25 00:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O3 |
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| Molecular Mass | 158.0943 |
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| SMILES | CCC1C(=O)OCCC1(C)O |
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| InChI Key | PYQUGYHPTBICTR-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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