Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:40:23 UTC |
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Update Date | 2025-03-25 00:46:41 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02156649 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C11H18O4 |
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Molecular Mass | 214.1205 |
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SMILES | O=C1CC(O)CC(C2(O)CCCCC2)O1 |
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InChI Key | VCSKUXZFFAYJTK-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 esterscyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanestertiary alcohols |
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Substituents | alcoholcarbonyl groupdelta valerolactonecyclohexanolcyclic alcoholcarboxylic acid derivativeoxacycletertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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