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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O12
Molecular Weight 472.4398
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEOXYNIVALENOL 3-GLUCURONIDE

SMILES

[H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O[C@]4([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@]25CO5

InChI

InChIKey=GRFAWUZMBBQEMX-IJNZYEPRSA-N
InChI=1S/C21H28O12/c1-7-3-9-20(5-22,15(27)10(7)23)19(2)4-8(16(32-9)21(19)6-30-21)31-18-13(26)11(24)12(25)14(33-18)17(28)29/h3,8-9,11-16,18,22,24-27H,4-6H2,1-2H3,(H,28,29)/t8-,9-,11+,12+,13-,14+,15-,16-,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O12
Molecular Weight 472.4398
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
I0I7J8KVP2
Record Status Validated (UNII)
Record Version