Compound Identification
SMILES
COC1=CC=C(NC2=CC(C)(OC2=O)C(O)=O)C=C1
InChIKey
InChIKey=DXPPYSXVFNEBBV-UHFFFAOYSA-N
Formula
C13H13NO5
Mass
263.249
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- 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 - Sugar amino acids and derivatives
Direct Parent
Furanoid amino acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Butenolides Dicarboxylic acids and derivatives Enoate esters Lactones Amino acids Oxacyclic compounds Carboxylic acids Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furanoid amino acid - Alpha-amino acid or derivatives - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - 2-furanone - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Carboxylic acid ester - Amino acid or derivatives - Lactone - Amino acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Ether - Enamine - Organopnictogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.
External Descriptors
Not available