| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:31 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209343 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC1=CC(=CCC2CC(O)CC(=O)O2)OC1=O |
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| InChI Key | NOVGIKWNWDTZSO-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 | butenolidescarbonyl compoundsdicarboxylic acids and derivativesdihydrofuransenoate estersenol estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | enoate esteralcoholcarbonyl groupdelta valerolactonecarboxylic acid derivativeoxacyclealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxaneenol esterdelta_valerolactoneorganooxygen compounddihydrofuran |
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