Compound Identification
SMILES
OC(=O)CCC(=O)C(O)=O.CC1=NC=C(CO)C(C=O)=C1O
InChIKey
InChIKey=MUXYIGOUJRUBPG-UHFFFAOYSA-N
Formula
C13H15NO8
Mass
313.262
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridine carboxaldehydes
- Level 5 Pyridoxals and derivatives
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Subclass
Pyridine carboxaldehydes
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridine carboxaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxals and derivatives
Alternative Parents
Gamma-keto acids and derivatives Short-chain keto acids and derivatives Aryl-aldehydes Methylpyridines Hydroxypyridines Alpha-keto acids and derivatives Dicarboxylic acids and derivatives Vinylogous acids Alpha-hydroxy ketones Heteroaromatic compounds Azacyclic compounds Carboxylic acids Primary alcohols Organic oxides Aromatic alcohols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Pyridoxal - Gamma-keto acid - Methylpyridine - Hydroxypyridine - Aryl-aldehyde - Short-chain keto acid - Alpha-keto acid - Dicarboxylic acid or derivatives - Keto acid - Alpha-hydroxy ketone - Heteroaromatic compound - Vinylogous acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
External Descriptors
Not available