Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4C(O)=O)[C@@H]1CCC2=O
InChIKey
InChIKey=LVTIFFYMLCASND-ZTWKBWDPSA-N
Formula
C19H22O4
Mass
314.381
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 4-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
4-carboxy steroids
Alternative Parents
Estrogens and derivatives 3-hydroxysteroids 17-oxosteroids Phenanthrenes and derivatives Naphthalenecarboxylic acids Tetralins Salicylic acid and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
4-carboxy steroid - Estrogen-skeleton - 3-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - 17-oxosteroid - Oxosteroid - Phenanthrene - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Tetralin - Salicylic acid or derivatives - Hydroxybenzoic acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous acid - Ketone - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-carboxy steroids. These are steroid compounds that carry a carboxyl group at the C4-atom of the steroid backbone.
External Descriptors
Not available