Compound Identification
SMILES
COc1cc(O)cc(C)c1Cc1oc(CC(C)O)cc1C(O)=O
InChIKey
InChIKey=UNORTMJWWJQZKM-UHFFFAOYSA-N
Formula
C17H20O6
Mass
320.341
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
- Level 7 Urofuranic acids
-
Level 6
Furanoid fatty acids
-
Level 5
Heterocyclic fatty acids
-
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 - Furanoid fatty acids
Direct Parent
Urofuranic acids
Alternative Parents
Methoxyphenols Phenoxy compounds Methoxybenzenes Meta cresols Furoic acids Furan-3-carboxylic acids Anisoles Hydroxy fatty acids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Urofuranic acid - Methoxyphenol - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - M-cresol - Furoic acid - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Hydroxy fatty acid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as urofuranic acids. These are fatty acids structurally characterized by the presence of a furanoid ring substituted at the positions 1, 2, 3, and 4 by a short fatty acid chain, a carboxylic acid group, a methyl group, and an alkyl chain, respectively.
External Descriptors
Not available