Compound Identification
SMILES
CC(=O)O[C@@H]1C(O)C=C2C(NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]1OC(C)=O
InChIKey
InChIKey=UIIXJKJCGBXQDC-JPJXWVPMSA-N
Formula
C18H17NO9
Mass
391.332
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Oxosteroids
- Level 5 16-oxosteroids
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Subclass
Oxosteroids
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Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
16-oxosteroids
Alternative Parents
12-hydroxysteroids Phenanthridine- and phenanthridone-type amaryllidaceae alkaloids Phenanthridines and derivatives Isoquinolones and derivatives Tetrahydroisoquinolines Benzodioxoles 1-hydroxy-4-unsubstituted benzenoids Cyclitols and derivatives Dicarboxylic acids and derivatives Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
12-hydroxysteroid - 4-hydroxysteroid - Hydroxysteroid - 16-oxosteroid - Phenanthridone-type amaryllidaceae alkaloid - Benzoquinoline - Phenanthridine - Isoquinolone - Quinoline - Tetrahydroisoquinoline - Benzodioxole - Alkaloid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Cyclitol or derivatives - Dicarboxylic acid or derivatives - Vinylogous acid - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 16-oxosteroids. These are steroid derivatives carrying a C=O group at the 16-position of the steroid skeleton.
External Descriptors
Not available