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Details

Stereochemistry EPIMERIC
Molecular Formula C18H22O9
Molecular Weight 382.3619
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-BUTYL-1,3-DIHYDRO-3-OXOISOBENZOFURAN-1-YL

SMILES

CCCCC2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)C3=C2C=CC=C3

InChI

InChIKey=VOIWHUXQRMAAMC-XUDKMGLNSA-N
InChI=1S/C18H22O9/c1-2-3-8-18(10-7-5-4-6-9(10)16(24)26-18)27-17-13(21)11(19)12(20)14(25-17)15(22)23/h4-7,11-14,17,19-21H,2-3,8H2,1H3,(H,22,23)/t11-,12-,13+,14-,17-,18?/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H22O9
Molecular Weight 382.3619
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:07:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:07:17 GMT 2023
Record UNII
UE6TG7GF9Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 1-BUTYL-1,3-DIHYDRO-3-OXOISOBENZOFURAN-1-YL
Systematic Name English
1-BUTYL-1,3-DIHYDRO-3-OXOISOBENZOFURAN-1-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
BUTYLPHTHALIDE METABOLITE M9-6
Common Name English
Code System Code Type Description
CAS
1293998-93-2
Created by admin on Sat Dec 16 16:07:17 GMT 2023 , Edited by admin on Sat Dec 16 16:07:17 GMT 2023
PRIMARY
PUBCHEM
156614156
Created by admin on Sat Dec 16 16:07:17 GMT 2023 , Edited by admin on Sat Dec 16 16:07:17 GMT 2023
PRIMARY
FDA UNII
UE6TG7GF9Y
Created by admin on Sat Dec 16 16:07:17 GMT 2023 , Edited by admin on Sat Dec 16 16:07:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE