| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:47 UTC |
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| Update Date | 2025-03-21 18:28:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071214 |
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| Frequency | 42.2 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CC1(O)CC(=O)OCC(O)C1O |
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| InChI Key | OVZZCFLGNPQOAD-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 compoundsoxepanessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcaprolactonecarbonyl groupcarboxylic acid derivativelactoneoxepaneoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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