Compound Identification
SMILES
OC1=C(O)C=C(\C=C\C(=O)O[C@@H]2CC3(O)C[C@@H](OC(=O)\C=C\C4=CC(O)=C(O)C=C4)C2OC3=O)C=C1
InChIKey
InChIKey=XYNKWVHGMIUSPU-RDJMKVHDSA-N
Formula
C25H22O11
Mass
498.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
-
Level 6
Hexoses
- Level 7 Gluconolactones
-
Level 6
Hexoses
-
Level 5
Monosaccharides
-
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
Monosaccharides - Hexoses
Direct Parent
Gluconolactones
Alternative Parents
Coumaric acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Fatty acid esters Delta valerolactones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Tertiary alcohols Enoate esters Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Gluconolactone - Coumaric acid or derivatives - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Benzenoid - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.
External Descriptors
Not available