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 CCC(C)[C@](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeGymnadenia conopsea Ref.
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