DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:21 UTC
Update Date	2025-03-25 00:58:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234080
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈O₈
Molecular Mass	314.1002
SMILES	CC(=O)c1c(O)cc(O)cc1OC1C(O)CC(O)C(O)C1O
InChI Key	ZZUGLUXPQHSQTO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetophenones alkyl aryl ethers aryl alkyl ketones benzoyl derivatives cyclitols and derivatives cyclohexanols hydrocarbon derivatives organic oxides phenol ethers phenoxy compounds resorcinols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety ether aryl alkyl ketone benzoyl 1-hydroxy-2-unsubstituted benzenoid alkyl aryl ether resorcinol organic oxide acetophenone alcohol cyclohexanol cyclitol or derivatives 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol aromatic homomonocyclic compound vinylogous acid secondary alcohol phenol hydrocarbon derivative benzenoid phenoxy compound alkyl-phenylketone

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