input word = C00010655

Metabolite InformationStructural formula
Name Penstebioside
Formula C27H42O15
Mw 606.25237067
CAS RN 109291-58-9
C_ID C00010655 ,
InChIKey NPCCFNTZZXOWME-HWDWPKRUNA-N
InChICode InChI=1S/C27H42O15/c1-11(2)5-17(31)41-25-18-12(6-28)3-4-14(18)13(9-37-25)10-38-26-23(36)21(34)24(16(8-30)40-26)42-27-22(35)20(33)19(32)15(7-29)39-27/h3,9,11,14-16,18-30,32-36H,4-8,10H2,1-2H3/t14-,15+,16-,18-,19+,20-,21+,22-,23-,24+,25-,26-,27-/m0/s1
SMILES [C@@H]1(O[C@H]([C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)CO)OCC1=CO[C@H]([C@@H]2[C@H]1CC=C2CO)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePenstemon richardsonii Ref.
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