input word = C00038821

Metabolite InformationStructural formula
Name Coelovirin C
(-)-Coelovirin C
Dactylorhin D
Formula C27H40O17
Mw 636.22654986
CAS RN 256459-39-9
C_ID C00038821 ,
InChIKey REPUIDONRHUURG-STFHIEAHNA-N
InChICode InChI=1S/C27H40O17/c1-3-11(2)27(22(36)23(37)38,44-25-21(35)19(33)17(31)15(9-29)43-25)26(39)40-10-12-4-6-13(7-5-12)41-24-20(34)18(32)16(30)14(8-28)42-24/h4-7,11,14-22,24-25,28-36H,3,8-10H2,1-2H3,(H,37,38)/t11-,14-,15-,16-,17-,18+,19+,20-,21-,22+,24-,25+,27-/m1/s1
SMILES c1c(ccc(c1)COC(=O)[C@@]([C@H](C(=O)O)O)(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@H](C)CC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea Ref.
zoom in