Compound Identification
SMILES
COC1=CC(C(=O)COC2=C(O)C(=O)O[C@@H]2[C@@H]2COC(C)(C)O2)=C(OC)C=C1
InChIKey
InChIKey=KYQXTIUXCKULKL-GOEBONIOSA-N
Formula
C19H22O9
Mass
394.376
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Ketals Butenolides 1,3-dioxolanes Vinylogous esters Enoate esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Ketal - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-furanone - Meta-dioxolane - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Dihydrofuran - Enoate ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Acetal - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available