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 [C@@]1([C@@H]2CC[C@@H]3[C@@](C1)(C[C@H]([C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)OC(=O)C)[C@@H]2O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle Ref.
PlantaeEricaceaeRhododendron molle(flower) Ref.
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