input word = C00041200

Metabolite InformationStructural formula
Name Taxuspine S
(-)-Taxuspine S
Formula C37H44O14
Mw 712.27310612
CAS RN 182219-55-2
C_ID C00041200 ,
InChIKey MQEGHHBOQKLTGK-ZSUNONORNA-N
InChICode InChI=1S/C37H44O14/c1-19-26(51-29(44)14-13-24-11-9-8-10-12-24)16-28(47-20(2)39)36(17-38)30(19)31(48-21(3)40)25-15-27(43)35(7)37(45,34(25,6)18-46-35)33(50-23(5)42)32(36)49-22(4)41/h8-14,25-26,28,30-33,38,45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34-,35+,36+,37-/m0/s1
SMILES [C@@]12([C@@H](C(=C)[C@H](C[C@@H]1OC(=O)C)OC(=O)/C=C/c1ccccc1)[C@@H]([C@@H]1CC(=O)[C@@]3([C@@]([C@]1(CO3)C)([C@H]([C@@H]2OC(=O)C)OC(=O)C)O)C)OC(=O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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