input word = C00008729

Metabolite InformationStructural formula
Name Dihydrophelloside
Formula C32H42O17
Mw 698.24219992
CAS RN 20194-52-9
C_ID C00008729 ,
InChIKey VMUUCEWEHPBFTQ-NYSDILIONA-N
InChICode InChI=1S/C32H42O17/c1-32(2,49-31-27(44)24(41)21(38)18(11-34)47-31)8-7-14-16(45-30-26(43)23(40)20(37)17(10-33)46-30)9-15(36)19-22(39)25(42)28(48-29(14)19)12-3-5-13(35)6-4-12/h3-6,9,17-18,20-21,23-28,30-31,33-38,40-44H,7-8,10-11H2,1-2H3/t17-,18+,20+,21+,23-,24-,25-,26-,27+,28-,30+,31-/m0/s1
SMILES CC(C)(CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2=O)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron sachalinense Ref.
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