Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C)C(O)=O)[C@@H]1CC[C@@H]2C(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=YAGKTANDSVQGBM-JRZBRKEGSA-N
Formula
C27H31FO3
Mass
422.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Steroid acids
- Level 5 3-carboxy steroids
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Subclass
Steroid acids
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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
Steroid acids
Intermediate Tree Nodes
Not available
Direct Parent
3-carboxy steroids
Alternative Parents
Androstane steroids Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-carboxy steroid - Androstane-skeleton - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C3-atom of the steroid backbone.
External Descriptors
Not available