Compound Identification
SMILES
[O-][N+]([O-])=O.C[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)C1=CC=CC=C1
InChIKey
InChIKey=BSQIVYOSLFLSGE-ODDNLWGVSA-N
Formula
C18H24N2O7
Mass
380.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Benzene and substituted derivatives Piperidines Morpholines N-alkylpyrrolidines Tetraalkylammonium salts Organic nitrates Carboxylic acid esters Organic nitric acids Organic nitro compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Primary alcohols Amines Organopnictogen compounds Organic zwitterions Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-hydroxy acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Benzenoid - N-alkylpyrrolidine - Tetraalkylammonium salt - Organic nitrate - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic salt - Primary alcohol - Amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available