Compound Identification
SMILES
CC(=O)OC1=CC(OC(C)=O)=C(C=C1)C1COC2=C(C1)C=CC(OC(C)=O)=C2
InChIKey
InChIKey=XKNARXVTWWACIL-UHFFFAOYSA-N
Formula
C21H20O7
Mass
384.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflavans
- Level 5 Isoflavanols
-
Subclass
Isoflavans
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanols
Alternative Parents
Phenol esters 1-benzopyrans Tricarboxylic acids and derivatives Phenoxy compounds Alkyl aryl ethers Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Chromane - 1-benzopyran - Phenol ester - Benzopyran - Tricarboxylic acid or derivatives - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
External Descriptors
Not available