Compound Identification
SMILES
CCCOC1=C2CC3=CC(CO[C@]4(O[C@H](COCC5=CC=CC=C5)[C@H](OCC5=CC=CC=C5)[C@H](OCC5=CC=CC=C5)[C@H]4OCC4=CC=CC=C4)C(=O)OC)=CC(CC4=C(OCCC)C(CC5=C(OCCC)C(CC1=CC=C2)=CC(CO[C@]1(O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1)C(=O)OC)=C5)=CC=C4)=C3OCCC
InChIKey
InChIKey=MDJLBUSTVAOBAW-YNPMVXTLSA-N
Formula
C114H124O20
Mass
1814.226
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Sugar acids and derivatives
- Level 6 Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives
Direct Parent
Glucuronic acid derivatives
Alternative Parents
C-glycosyl compounds Benzylethers Ketals Alkyl aryl ethers Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Methyl esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Glucuronic acid or derivatives - C-glycosyl compound - Glycosyl compound - Benzylether - Ketal - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - Oxane - Pyran - Methyl ester - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Not available