input word = C00040837

Metabolite InformationStructural formula
Name 5-Cinnamoyl-9-acetyltaxicin II
Formula C31H38O7
Mw 522.26175357
CAS RN 146257-46-7
C_ID C00040837 ,
InChIKey NLXBXVWBIGYJBM-HXVHZZLKNA-N
InChICode InChI=1S/C31H38O7/c1-17-22(33)16-21-27(35)26-18(2)23(38-24(34)13-12-20-10-8-7-9-11-20)14-15-31(26,6)29(37-19(3)32)28(36)25(17)30(21,4)5/h7-13,21,23,26-29,35-36H,2,14-16H2,1,3-6H3/b13-12+/t21-,23-,26-,27+,28+,29-,31+/m0/s1
SMILES C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C3=C(C)C(=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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