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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H15NO6
Molecular Weight 305.2827
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASCORBIGEN A

SMILES

O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)[C@]2(O)CC3=CNC4=C3C=CC=C4

InChI

InChIKey=OMSJCIOTCFHSIT-MXYBEHONSA-N
InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H15NO6
Molecular Weight 305.2827
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
9F6RSB028Y
Record Status Validated (UNII)
Record Version