| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:55 UTC |
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| Update Date | 2025-03-25 01:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246964 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H32O6 |
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| Molecular Mass | 392.2199 |
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| SMILES | CCC(=O)OC1CC(C)C=C2C=CC(C)C(CCC3OC(=O)CC(O)C3O)C21 |
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| InChI Key | CLURDDLKVUCCBD-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolscarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupdelta valerolactonemonosaccharidecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacyclesaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound1,2-diol |
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