Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=C4)C(O)=O)[C@@H]1CC[C@@H]2C(=O)CCC1=CC=CC=C1
InChIKey
InChIKey=TWSMPIGKZLCUJU-MOBZEUQDSA-N
Formula
C28H32O3
Mass
416.561
Taxonomic Classification
Taxonomy Tree
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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
Steroid acids
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Level 5
3-carboxy steroids
- Level 6 3-carboxy-20-oxosteroids
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Level 5
3-carboxy steroids
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Subclass
Steroid acids
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Class
Steroids and steroid derivatives
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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
3-carboxy steroids
Direct Parent
3-carboxy-20-oxosteroids
Alternative Parents
20-oxosteroids Estrane steroids Phenanthrenes and derivatives Naphthalenecarboxylic acids Tetralins Benzene and substituted derivatives Ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-carboxy-20-oxosteroid - 20-oxosteroid - Estrane-skeleton - Oxosteroid - Phenanthrene - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-carboxy-20-oxosteroids. These are steroid compounds that carry a carboxyl group and a C=O group at the C3- and C20-positions of the steroid backbone, respectively.
External Descriptors
Not available