| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:49 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126602 |
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| Frequency | 20.2 |
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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 | CC1C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C2C(OC(=O)C(C)O)C1 |
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| InChI Key | WGQIJGGCPVVRNN-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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