input word = C00043437

Metabolite InformationStructural formula
Name Cyclotaxinine NN-2
(+)-Cyclotaxinine NN-2
Formula C35H42O10
Mw 622.27779756
CAS RN 146278-52-6
C_ID C00043437 ,
InChIKey XQLJYGLHZIUECS-VBPOIJKKNA-N
InChICode InChI=1S/C35H42O10/c1-19-25(39)18-33(41)30(44-23(5)38)35-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-32(35,8)28(42-21(3)36)29(43-22(4)37)34(19,35)31(33,6)7/h9-15,19,26,28-30,41H,2,16-18H2,1,3-8H3/b15-14+/t19-,26+,28+,29+,30-,32+,33-,34-,35-/m1/s1
SMILES [C@H]1([C@@]2(CC(=O)[C@H]([C@]3([C@]41[C@]([C@H]([C@@H]3OC(=O)C)OC(=O)C)(CC[C@@H](C4=C)OC(=O)/C=C/c1ccccc1)C)C2(C)C)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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