Compound Identification
SMILES
CC[C@@H](C)C1=CC=C(N[C@@H](C(O)=O)C2=CC=C(O2)[C@@H](S)CC2=CC=CO2)C=C1
InChIKey
InChIKey=XZZHZGDGBAOTSA-PUCZYUMASA-N
Formula
C22H25NO4S
Mass
399.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
-
Level 5
Heterocyclic fatty acids
- Level 6 Furanoid fatty acids
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Level 5
Heterocyclic fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Heterocyclic fatty acids
Direct Parent
Furanoid fatty acids
Alternative Parents
D-alpha-amino acids Phenylpropanes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Heteroaromatic compounds Furans Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid fatty acid - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Phenylpropane - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Amino acid or derivatives - Amino acid - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.
External Descriptors
Not available