input word = C00041165

Metabolite InformationStructural formula
Name Taxine II
Formula C37H49NO9
Mw 651.34073217
CAS RN 110042-00-7
C_ID C00041165 ,
InChIKey UJARNTWLSVMUJF-JKXOPKCFNA-N
InChICode InChI=1S/C37H49NO9/c1-20-28(42)18-26-33(44-22(3)39)32-21(2)29(47-30(43)19-27(38(9)10)25-14-12-11-13-15-25)16-17-37(32,8)35(46-24(5)41)34(45-23(4)40)31(20)36(26,6)7/h11-15,26-27,29,32-35H,2,16-19H2,1,3-10H3/t26-,27+,29-,32-,33+,34+,35-,37+/m0/s1
SMILES C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
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