Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC1=C(O)C=CC(=C1)[C@@H](O)CN
InChIKey
InChIKey=CRGJBQNAGIDXLG-NDAAPVSOSA-N
Formula
C13H19NO8
Mass
317.294
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Ortho cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Ortho cresols
Alternative Parents
Toluenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Not available
Substituents
O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Organic nitrogen compound - Aromatic alcohol - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors
Not available