Compound Identification
SMILES
COC1=C(OC(=O)CCC2CCC(CC2)(C2=C(F)C=CC(F)=C2)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C=CC(\C=C\C(=O)OCCCCO[N+]([O-])=O)=C1
InChIKey
InChIKey=UASDZIYPRNTVKI-MKMNVTDBSA-N
Formula
C36H36F5NO10S
Mass
769.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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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
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Trifluoromethylbenzenes Phenol esters Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Styrenes Alkyl aryl ethers Fluorobenzenes Fatty acid esters Aryl fluorides Dicarboxylic acids and derivatives Enoate esters Alkyl nitrates Sulfones Organic nitro compounds Organic nitric acids and derivatives Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic nitrogen compounds Organic oxides Organic salts Alkyl fluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenol ester - Trifluoromethylbenzene - Benzenesulfonyl group - Anisole - Methoxybenzene - Phenol ether - Phenoxy compound - Styrene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Sulfone - Sulfonyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alkyl nitrate - Organic nitrate - Organic nitro compound - Carboxylic acid ester - Organic nitric acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Carbonyl group - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available