input word = C00041180

Metabolite InformationStructural formula
Name Taxusabietane D
(+)-Taxusabietane D
Formula C38H50O16
Mw 762.30988555
CAS RN 220785-05-7
C_ID C00041180 ,
InChIKey CXTTYCULUTUTIW-FSMZXNFLNA-N
InChICode InChI=1S/C38H50O16/c1-17(2)24-13-25-26(49-20(5)41)14-28-37(9,10)29(45)11-12-38(28,16-48-19(4)40)30(25)31(46)32(24)54-36-35(52-23(8)44)34(51-22(7)43)33(50-21(6)42)27(53-36)15-47-18(3)39/h13,17,26-28,33-36,46H,11-12,14-16H2,1-10H3/t26-,27+,28-,33+,34-,35+,36-,38+/m0/s1
SMILES CC(=O)OC[C@H]1OC(Oc2c(C(C)C)cc3c(c2O)[C@@]2(COC(C)=O)CCC(=O)C(C)(C)[C@@H]2C[C@@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
zoom in