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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2O9S2
Molecular Weight 448.468
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GLUCOBRASSICIN

SMILES

OC[C@H]1O[C@@H](S\C(CC2=CNC3=C2C=CC=C3)=N/OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=DNDNWOWHUWNBCK-PIAXYHQTSA-N
InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11-,13-,14+,15-,16+/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed