input word = C00043871

Metabolite InformationStructural formula
Name Rhodomollein XIII
(-)-Rhodomollein XIII
Formula C22H36O7
Mw 412.2461035
CAS RN 54781-72-5
C_ID C00043871 ,
InChIKey FAQBWQCBGONEEW-PLJLFJDMNA-N
InChICode InChI=1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1
SMILES CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2C[C@H](O)C(C)(C)[C@@]12O)C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle Ref.
PlantaeEricaceaeRhododendron molle(flower) Ref.
zoom in