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 C1[C@@H]([C@@]([C@@H]2[C@]3([C@@H]1OC(=O)C)C(=C[C@H](C2)OC(=O)[C@H](C)CC)[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)(C/C=C(/C=C)\C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia lucida Ref.
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OrganismCasearia lucida
ReferencePrakash,J.Nat.Prod.,65,(2002),100