input word = C00037942

Metabolite InformationStructural formula
Name Trifochalcanoloside III
Formula C23H30O12
Mw 498.17372642
CAS RN 263867-60-3
C_ID C00037942 ,
InChIKey MCVFLBHWTKBUMD-QVMGIJBWNA-N
InChICode InChI=1S/C23H30O12/c1-32-21-12(34-23-20(31)19(30)16(27)13(9-24)35-23)8-11(25)14(22(21)33-2)17(28)18(29)15(26)10-6-4-3-5-7-10/h3-8,13,15-20,23-31H,9H2,1-2H3/t13-,15+,16-,17+,18+,19+,20-,23-/m1/s1
SMILES c1(c(c(c(c(c1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)OC)[C@@H]([C@H]([C@@H](O)c1ccccc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTrifolium alexandrinum Ref.
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