input word = C00035175

Metabolite InformationStructural formula
Name Sinuatol
Formula C21H32O13
Mw 492.18429111
CAS RN 78053-02-8
C_ID C00035175 ,
InChIKey GKYZLSXVWCJFOK-RGYUELSJNA-N
InChICode InChI=1S/C21H32O13/c1-7-13(24)15(26)17(28)20(31-7)32-10-4-8(5-22)12-9(10)2-3-30-19(12)34-21-18(29)16(27)14(25)11(6-23)33-21/h2-4,7,9-29H,5-6H2,1H3/t7-,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-,20-,21-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@@H]2C=C(CO)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeVerbascum sinuatum Ref.
zoom in