Compound Identification
SMILES
OCC1OC(OC2=CC(O)=CC3=[O+]C(=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C23)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChIKey
InChIKey=ICKFXQZKDKSYFI-UHFFFAOYSA-O
Formula
C27H29O17
Mass
625.511
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavonoid glycosides
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Level 5
Flavonoid O-glycosides
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Level 6
Flavonoid O-glucuronides
- Level 7 Flavonoid-3-O-glucuronides
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Level 6
Flavonoid O-glucuronides
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Level 5
Flavonoid O-glycosides
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Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct Parent
Flavonoid-3-O-glucuronides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides O-glucuronides O-glycosyl compounds 1-benzopyrans Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Beta hydroxy acids and derivatives Monosaccharides Oxanes Pyrans Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Polyols Oxacyclic compounds Acetals Carboxylic acids Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3-o-glucuronide - Anthocyanidin-3-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanin - Flavonoid-3-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Catechol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Beta-hydroxy acid - Pyran - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Hydroxy acid - Heteroaromatic compound - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
External Descriptors
Not available