input word = C00041221

Metabolite InformationStructural formula
Name Yunnanxol
Formula C40H46O14
Mw 750.28875618
CAS RN 155416-23-2
C_ID C00041221 ,
InChIKey UNCQAFYASAWAFL-GPFUZDIINA-N
InChICode InChI=1S/C40H46O14/c1-20-25(52-36(48)30(45)29(44)23-13-9-7-10-14-23)18-40(49)34(53-35(47)24-15-11-8-12-16-24)32-38(6,26(43)17-27-39(32,19-50-27)54-22(3)42)33(46)31(51-21(2)41)28(20)37(40,4)5/h7-16,25-27,29-32,34,43-45,49H,17-19H2,1-6H3/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C(C1(C)C)[C@H](C2=O)OC(=O)C)C)OC(=O)[C@H](O)[C@@H](O)c1ccccc1)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus yunanensis Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
zoom in