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 O1C=C[C@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C(=C[C@@H]2O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeVerbascum sinuatum Ref.
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