input word = C00049438

Metabolite InformationStructural formula
Name Comptonine
(+)-Comptonine
Formula C37H49NO10
Mw 667.33564679
CAS RN 126585-69-1
C_ID C00049438 ,
InChIKey UIBSPLYLQDXAJU-UHFFFAOYNA-N
InChICode InChI=1S/C37H49NO10/c1-19-26-16-25-17-27(42)20(2)30(36(25,6)7)33(46-22(4)40)34(47-23(5)41)37(26,8)29(45-21(3)39)18-28(19)48-35(44)32(43)31(38(9)10)24-14-12-11-13-15-24/h11-15,25-26,28-29,31-34,43H,1,16-18H2,2-10H3/t25-,26+,28+,29-,31-,32-,33-,34+,37+/m1/s1
SMILES C=C1C(OC(=O)C(O)C(c2ccccc2)N(C)C)CC(OC(C)=O)C2(C)C1CC1CC(=O)C(C)=C(C(OC(C)=O)C2OC(C)=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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