DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:22 UTC
Update Date	2025-03-25 00:48:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167855
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈O₄
Molecular Mass	250.1205
SMILES	CC(C)CC1(CC(=O)O)OCc2cc(O)ccc21
InChI Key	BTRSPKKOAQZJKS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids benzenoids branched fatty acids carbonyl compounds carboxylic acids dialkyl ethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids isocoumarans medium-chain fatty acids monocarboxylic acids and derivatives organic oxides oxacyclic compounds
Substituents	fatty acyl carbonyl group ether carboxylic acid heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid dialkyl ether oxacycle organic oxide monocarboxylic acid or derivatives isocoumaran organic oxygen compound aromatic heteropolycyclic compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid benzenoid organoheterocyclic compound organooxygen compound

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