input word = C00045973

Metabolite InformationStructural formula
Name Globuloside B
(-)-Globuloside B
Formula C38H46O19
Mw 806.26332929
CAS RN 325828-55-5
C_ID C00045973 ,
InChIKey POILUOKEDPTHIF-ZNEGEFHINA-N
InChICode InChI=1S/C38H46O19/c39-11-17-6-7-19-21(15-52-36(25(17)19)57-38-32(47)30(45)28(43)24(13-41)55-38)34(49)53-22-10-18(14-51-33(48)16-4-2-1-3-5-16)26-20(22)8-9-50-35(26)56-37-31(46)29(44)27(42)23(12-40)54-37/h1-6,8-10,15,19-20,22-32,35-47H,7,11-14H2/t19-,20-,22+,23-,24-,25-,26-,27-,28-,29+,30+,31-,32-,35+,36+,37+,38+/m1/s1
SMILES O=C(O[C@@H]1C=C(COC(=O)c2ccccc2)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]21)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGlobulariaceaeGlobularia trichosantha Ref.
zoom in