input word = C00036139

Metabolite InformationStructural formula
Name Marsin
(+)-Marsin
Formula C27H42O7
Mw 478.2930537
CAS RN 651712-10-6
C_ID C00036139 ,
InChIKey FQXKZRWLIJVZPF-ICHNVGRONA-N
InChICode InChI=1S/C27H42O7/c1-14(28)18-9-12-27(32)20-6-5-16-13-17(34-24-23(31)22(30)21(29)15(2)33-24)7-10-25(16,3)19(20)8-11-26(18,27)4/h5,15,17-24,29-32H,6-13H2,1-4H3/t15-,17-,18+,19-,20+,21+,22+,23-,24-,25-,26+,27-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia roylei Ref.
zoom in



OrganismMarsdenia roylei
ReferenceGupta,Phytochem.,64,(2003),1327