input word = C00042912

Metabolite InformationStructural formula
Name Rhodomollein I
Formula C20H32O6
Mw 368.21988875
CAS RN 126223-68-5
C_ID C00042912 ,
InChIKey NXHMKIIWANFGSS-BDYWEMCENA-N
InChICode InChI=1S/C20H32O6/c1-9-10-5-6-11-15(23)19(10,8-18(11,4)25)7-12(21)20(26)13(9)14(22)16(24)17(20,2)3/h10-16,21-26H,1,5-8H2,2-4H3/t10-,11+,12+,13+,14-,15-,16-,18+,19-,20+/m0/s1
SMILES [C@@]1([C@@H]2CC[C@@H]3[C@@](C1)(C[C@H]([C@]1([C@H](C3=C)[C@@H]([C@@H](C1(C)C)O)O)O)O)[C@H]2O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron molle(fruit) Ref.
PlantaeEricaceaeRhododendron molle G.Don Ref.
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