| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:41 UTC |
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| Update Date | 2025-03-25 00:47:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O5 |
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| Molecular Mass | 254.1154 |
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| SMILES | CC1=CC(=O)OC(CCC2CC(O)CC(=O)O2)C1 |
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| InChI Key | LKGCGCBNJPKPPM-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 | pyrans |
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| Subclass | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsdelta valerolactonesdicarboxylic acids and derivativesenoate estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | enoate esteralcoholcarbonyl groupdihydropyranonedelta valerolactonecarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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