input word = C00040914

Metabolite InformationStructural formula
Name Casearin T
(+)-Casearin T
Formula C31H44O10
Mw 576.29344763
CAS RN 220178-33-6
C_ID C00040914 ,
InChIKey WJFSBKDDKDZRMR-LSMQUTAINA-N
InChICode InChI=1S/C31H44O10/c1-10-12-25(35)40-26-18(4)30(8,14-13-17(3)11-2)24-16-22(36-9)15-23-28(38-20(6)33)41-29(39-21(7)34)31(23,24)27(26)37-19(5)32/h11,13,15,18,22,24,26-29H,2,10,12,14,16H2,1,3-9H3/b17-13-/t18-,22+,24+,26-,27-,28+,29-,30+,31-/m1/s1
SMILES C=C/C(C)=CC[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia sylvestris Ref.
zoom in