input word = C00040913

Metabolite InformationStructural formula
Name Casearin S
Formula C27H38O7
Mw 474.26175357
CAS RN 220178-32-5
C_ID C00040913 ,
InChIKey JSWBVYDAGNPQEZ-OLKMZLSUNA-N
InChICode InChI=1S/C27H38O7/c1-8-10-23(29)33-21-15-27-20(24(30)34-25(27)32-18(5)28)13-19(31-7)14-22(27)26(6,17(21)4)12-11-16(3)9-2/h9,11,13,17,19,21-22,25H,2,8,10,12,14-15H2,1,3-7H3/b16-11-/t17-,19+,21+,22+,25-,26+,27-/m1/s1
SMILES [C@H]1([C@H]([C@@]([C@H]2[C@@]3(C1)C(=C[C@@H](C2)OC)C(=O)O[C@H]3OC(=O)C)(C/C=C(/C)\C=C)C)C)OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSamydaceaeCasearia sylvestris Ref.
zoom in