Compound Identification
SMILES
CCC(O)(CC)C1=CC(OCC2=CC(O)=C(C=C2)C(=CC(O)=O)C2=COC=C2)=CC(F)=C1
InChIKey
InChIKey=VTUJAPQNGOIEHL-UHFFFAOYSA-N
Formula
C25H25FO6
Mass
440.467
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Hydroxycinnamic acids
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids
Alternative Parents
Cinnamic acids Coumaric acids Phenylpropanes Styrenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Aryl fluorides Tertiary alcohols Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Aromatic alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Phenylpropane - Phenoxy compound - Phenol ether - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Furan - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
External Descriptors
Not available