input word = C00031159

Metabolite InformationStructural formula
Name Rhododendroketoside
Formula C21H30O11
Mw 458.1788118
CAS RN 623584-28-1
C_ID C00031159 ,
InChIKey OJCCBZNOKPTSRB-VLBVVTQHNA-N
InChICode InChI=1S/C21H30O11/c1-11(2-3-12-4-6-13(23)7-5-12)31-19-17(26)16(25)15(24)14(32-19)8-29-20-18(27)21(28,9-22)10-30-20/h4-7,11,14-15,17-20,22-24,26-28H,2-3,8-10H2,1H3/t11-,14+,15-,17+,18-,19-,20-,21+/m0/s1
SMILES O1[C@@H]([C@@H](C(=O)[C@H]([C@H]1O[C@H](CCc1ccc(cc1)O)C)O)O)CO[C@H]1OC[C@@]([C@H]1O)(CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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