input word = C00029992

Metabolite InformationStructural formula
Name Clemastanin A
(-)-Clemastanin A
Formula C25H32O11
Mw 508.19446187
CAS RN 172670-47-2
C_ID C00029992 ,
InChIKey WGTYXIDAEFJHPD-PDDPWLTDNA-N
InChICode InChI=1S/C25H32O11/c1-33-17-9-13(4-5-16(17)29)23-15(10-27)14-7-12(3-2-6-26)8-18(24(14)36-23)34-25-22(32)21(31)20(30)19(11-28)35-25/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3/t15-,19+,20+,21-,22+,23+,25+/m0/s1
SMILES c1c(cc2c(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]([C@H]2CO)c1ccc(c(c1)OC)O)CCCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola crenulata (HOOK.f.et Thoms.) H.OHBA Ref.
PlantaeRanunculaceaeClematis stans Ref.
zoom in