input word = C00042913

Metabolite InformationStructural formula
Name Rhodomollein III
Formula C22H36O8
Mw 428.24101813
CAS RN 142060-05-7
C_ID C00042913 ,
InChIKey VNEMCNXMJWNLDK-WANHDFENNA-N
InChICode InChI=1S/C22H36O8/c1-10(23)30-13-8-21-9-19(4,27)11(16(21)25)6-7-12(21)20(5,28)15-14(24)17(26)18(2,3)22(13,15)29/h11-17,24-29H,6-9H2,1-5H3/t11-,12+,13-,14+,15+,16+,17+,19-,20-,21+,22-/m1/s1
SMILES [C@@]1([C@@H]2CC[C@@H]3[C@@](C1)(C[C@H]([C@]1([C@H]([C@]3(C)O)[C@@H]([C@@H](C1(C)C)O)O)O)OC(=O)C)[C@H]2O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle G.Don Ref.
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