Compound Identification
SMILES
CCCC1=C(OCC(O)COC2=C(CC)C3=C(C=C2)C(O)=C(C(=O)O3)[N+]([O-])=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=ALAHVBMQAJLDGZ-UHFFFAOYSA-N
Formula
C25H27NO10
Mass
501.488
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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
4-hydroxycoumarins 1-benzopyrans Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Vinylogous acids Secondary alcohols Lactones Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 4-hydroxycoumarin - Hydroxycoumarin - Coumarin - 1-benzopyran - Benzopyran - Phenylpropane - Acetophenone - Phenoxy compound - Phenol ether - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - Alkyl aryl ether - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Organic nitro compound - Lactone - C-nitro compound - Secondary alcohol - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Alcohol - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic 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