input word = C00046920

Metabolite InformationStructural formula
Name Scupolin J
(+)-Scupolin J
Formula C26H36O9
Mw 492.23593275
CAS RN 281655-26-3
C_ID C00046920 ,
InChIKey OOIMZXQJSUZQQN-DBAPJCRKNA-N
InChICode InChI=1S/C26H36O9/c1-12(2)21(29)35-23-26-17(10-16(33-23)20(28)25(26)11-31-25)24(5,13(3)8-19(26)32-14(4)27)18-9-15-6-7-30-22(15)34-18/h6-7,12-13,15-20,22-23,28H,8-11H2,1-5H3/t13-,15-,16?,17-,18+,19+,20+,22-,23-,24+,25-,26-/m1/s1
SMILES [C@H]12[C@@H]([C@@]3([C@@]4([C@H](C1)[C@]([C@@H](C[C@@H]4OC(=O)C)C)([C@@H]1C[C@@H]4[C@@H](O1)OC=C4)C)[C@H](O2)OC(=O)C(C)C)CO3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria polyodon Ref.
zoom in