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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18O6
Molecular Weight 330.3319
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-5-((1Z)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-

SMILES

COC1=CC(=O)C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)=CC1=O

InChI

InChIKey=IGCQPJAPRKRCKW-WAYWQWQTSA-N
InChI=1S/C18H18O6/c1-21-15-10-13(19)12(9-14(15)20)6-5-11-7-16(22-2)18(24-4)17(8-11)23-3/h5-10H,1-4H3/b6-5-

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-5-((1Z)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-
Systematic Name English
2-METHOXY-5-((1Z)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE
Systematic Name English
COMBRESTATIN A4 METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
9818884
Created by admin on Sat Dec 16 16:16:21 GMT 2023 , Edited by admin on Sat Dec 16 16:16:21 GMT 2023
PRIMARY
CAS
438534-69-1
Created by admin on Sat Dec 16 16:16:21 GMT 2023 , Edited by admin on Sat Dec 16 16:16:21 GMT 2023
PRIMARY
FDA UNII
T86N8IE0JH
Created by admin on Sat Dec 16 16:16:21 GMT 2023 , Edited by admin on Sat Dec 16 16:16:21 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of COMBRESTATIN A4
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