| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:43 UTC |
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| Update Date | 2025-03-21 17:58:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012523 |
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| Frequency | 362.2 |
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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(O)CCOC(=O)CC1 |
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| InChI Key | NABJNTNJVQNHRF-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 | lactones |
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| Direct Parent | lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanestertiary alcohols |
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| Substituents | alcoholcaprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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