Compound Identification
SMILES
Oc1ccc(cc1O)C1Oc2c(O)cc([O-])cc2CC1OS(O)(=O)=O
InChIKey
InChIKey=WTXWEAXATVSZQX-UHFFFAOYSA-M
Formula
C15H13O9S
Mass
369.32
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
-
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
3'-hydroxyflavonoids 4'-hydroxyflavonoids 8-hydroxyflavonoids Flavan-3-ols 1-benzopyrans Catechols Alkyl aryl ethers Phenoxides 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Alkyl sulfates Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-sulfated flavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 8-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Chromane - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Phenoxide - Benzenoid - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - 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