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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO9
Molecular Weight 367.3075
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-METHOXY-1H-INDOLE-3-CARBOXYLATE)

SMILES

COC1=CC2=C(NC=C2C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1

InChI

InChIKey=BNGXEFQTQPJRBK-DJUFWWRVSA-N
InChI=1S/C16H17NO9/c1-24-6-2-3-9-7(4-6)8(5-17-9)15(23)26-16-12(20)10(18)11(19)13(25-16)14(21)22/h2-5,10-13,16-20H,1H3,(H,21,22)/t10-,11-,12+,13-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17NO9
Molecular Weight 367.3075
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:12:36 UTC 2023
Edited
by admin
on Thu Jul 06 21:12:36 UTC 2023
Record UNII
X25VF4PO1W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-METHOXY-1H-INDOLE-3-CARBOXYLATE)
Systematic Name English
TEGASEROD METABOLITE M29.0
Common Name English
Code System Code Type Description
FDA UNII
X25VF4PO1W
Created by admin on Thu Jul 06 21:12:36 UTC 2023 , Edited by admin on Thu Jul 06 21:12:36 UTC 2023
PRIMARY
PUBCHEM
10044464
Created by admin on Thu Jul 06 21:12:36 UTC 2023 , Edited by admin on Thu Jul 06 21:12:36 UTC 2023
PRIMARY
CAS
242802-03-5
Created by admin on Thu Jul 06 21:12:36 UTC 2023 , Edited by admin on Thu Jul 06 21:12:36 UTC 2023
PRIMARY
Related Record Type Details
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MAJOR
PLASMA