| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:09 UTC |
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| Update Date | 2025-03-21 18:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036516 |
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| Frequency | 96.9 |
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| Structure | |
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| Chemical Formula | C12H18O6 |
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| Molecular Mass | 258.1103 |
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| SMILES | O=C1CC(O)CC(CCC2CC(O)CC(=O)O2)O1 |
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| InChI Key | ACPPAKRUXMYVPC-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 estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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