input word = C00045721

Metabolite InformationStructural formula
Name Casearlucin C
(+)-Casearlucin C
Formula C31H44O9
Mw 560.298533
CAS RN 405507-82-6
C_ID C00045721 ,
InChIKey MGXDVAJVXQUVIN-GPLFRIHNNA-N
InChICode InChI=1S/C31H44O9/c1-10-17(3)12-13-30(9)19(5)14-26(36-20(6)32)31-24(28(37-21(7)33)40-29(31)38-22(8)34)15-23(16-25(30)31)39-27(35)18(4)11-2/h10,12,15,18-19,23,25-26,28-29H,1,11,13-14,16H2,2-9H3/b17-12+/t18-,19+,23-,25-,26-,28-,29+,30+,31+/m1/s1
SMILES C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(C)=O)C23C(=C[C@@H](OC(=O)C(C)CC)C[C@@H]21)[C@H](OC(C)=O)O[C@@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia lucida Ref.
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