U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H12Cl2O8
Molecular Weight 415.178
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GILLUSDIN

SMILES

COC(=O)C1=CC(=O)C(O)=C(OC)C12OC3=C(C2=O)C(C)=C(Cl)C(O)=C3Cl

InChI

InChIKey=GKDPVOBYIGAJSD-UHFFFAOYSA-N
InChI=1S/C17H12Cl2O8/c1-5-8-13(10(19)12(22)9(5)18)27-17(14(8)23)6(16(24)26-3)4-7(20)11(21)15(17)25-2/h4,21-22H,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H12Cl2O8
Molecular Weight 415.178
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:14 UTC 2023
Edited
by admin
on Sat Dec 16 10:25:14 UTC 2023
Record UNII
99EXN72AHG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GILLUSDIN
Common Name English
SPIRO(BENZOFURAN-2(3H),1'-(2,5)CYCLOHEXADIENE)-2'-CARBOXYLIC ACID, 5,7-DICHLORO-5',6-DIHYDROXY-6'-METHOXY-4-METHYL-3,4'-DIOXO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
146838
Created by admin on Sat Dec 16 10:25:14 UTC 2023 , Edited by admin on Sat Dec 16 10:25:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID40915381
Created by admin on Sat Dec 16 10:25:14 UTC 2023 , Edited by admin on Sat Dec 16 10:25:14 UTC 2023
PRIMARY
CAS
94663-91-9
Created by admin on Sat Dec 16 10:25:14 UTC 2023 , Edited by admin on Sat Dec 16 10:25:14 UTC 2023
PRIMARY
FDA UNII
99EXN72AHG
Created by admin on Sat Dec 16 10:25:14 UTC 2023 , Edited by admin on Sat Dec 16 10:25:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE