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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 7-GLUCURONIDE

SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C1=O

InChI

InChIKey=LMJBASXLWPRJIC-QRTFYCIOSA-N
InChI=1S/C21H28O12/c1-7-3-9-20(5-22,19(2)4-8(23)15(31-9)21(19)6-30-21)16(10(7)24)33-18-13(27)11(25)12(26)14(32-18)17(28)29/h3,8-9,11-16,18,22-23,25-27H,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
EJ6J99X8GP
Record Status Validated (UNII)
Record Version