Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O1)C(=C(O)C=C2O)C(C)(C)C=C
InChIKey
InChIKey=YTCVEOBRMAERSY-UHFFFAOYSA-N
Formula
C21H20O9S
Mass
448.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Sulfated flavonoids
- Level 5 3-sulfated flavonoids
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Subclass
Sulfated flavonoids
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Sulfated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
3-sulfated flavonoids
Alternative Parents
4'-O-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Chromones Arylsulfates Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Sulfuric acid monoesters Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-sulfated flavonoid - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Chromone - 1-benzopyran - Arylsulfate - Benzopyran - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Pyran - Vinylogous acid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfated flavonoids. These are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton.
External Descriptors
Not available