Compound Identification
SMILES
C[C@H]1CCCC(=O)CCC\C=C\C2=CC(OCC3CCC4=CC=CC=C4C3)=CC(O)=C2C(=O)O1
InChIKey
InChIKey=ZJTMWRBHHDVNTF-RDMOFQPJSA-N
Formula
C29H34O5
Mass
462.586
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Zearalenones
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Zearalenones
Intermediate Tree Nodes
Not available
Direct Parent
Zearalenones
Alternative Parents
Tetralins Phenol ethers Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Lactones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Zearalenone-skeleton - Tetralin - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Vinylogous acid - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.
External Descriptors
Not available