Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:52 UTC |
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Update Date | 2025-03-25 00:51:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02187343 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C23H34O5 |
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Molecular Mass | 390.2406 |
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SMILES | CC(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C(C)C21 |
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InChI Key | ZXABOSBUHOUKIP-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 | carbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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Substituents | alcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativealiphatic heteropolycyclic compoundoxacycleorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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