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Details

Stereochemistry EPIMERIC
Molecular Formula C18H20O10
Molecular Weight 396.3454
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOATE)

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)CCCC2OC(=O)C3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=PRFNHGIXAAGIHZ-CPQFSKGLSA-N
InChI=1S/C18H20O10/c19-11(27-18-14(22)12(20)13(21)15(28-18)16(23)24)7-3-6-10-8-4-1-2-5-9(8)17(25)26-10/h1-2,4-5,10,12-15,18,20-22H,3,6-7H2,(H,23,24)/t10?,12-,13-,14+,15-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20O10
Molecular Weight 396.3454
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 16:05:30 GMT 2023
Edited
by admin
on Sat Dec 16 16:05:30 GMT 2023
Record UNII
L9S7HZ83TD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(1,3-DIHYDRO-3-OXO-1-ISOBENZOFURANBUTANOATE)
Systematic Name English
BUTYLPHTHALIDE METABOLITE M10
Common Name English
Code System Code Type Description
PUBCHEM
156028112
Created by admin on Sat Dec 16 16:05:30 GMT 2023 , Edited by admin on Sat Dec 16 16:05:30 GMT 2023
PRIMARY
CAS
1486519-57-6
Created by admin on Sat Dec 16 16:05:30 GMT 2023 , Edited by admin on Sat Dec 16 16:05:30 GMT 2023
PRIMARY
FDA UNII
L9S7HZ83TD
Created by admin on Sat Dec 16 16:05:30 GMT 2023 , Edited by admin on Sat Dec 16 16:05:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
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