input word = C00008730

Metabolite InformationStructural formula
Name Phellodendroside
Formula C26H30O11
Mw 518.1788118
CAS RN 40451-69-2
C_ID C00008730 ,
InChIKey BIXCRRQKYRPIOC-IZQGBTLTNA-N
InChICode InChI=1S/C26H30O11/c1-26(2)8-7-13-15(37-26)9-14(29)17-19(31)24(22(35-23(13)17)11-3-5-12(28)6-4-11)36-25-21(33)20(32)18(30)16(10-27)34-25/h3-6,9,16,18,20-22,24-25,27-30,32-33H,7-8,10H2,1-2H3/t16-,18-,20+,21-,22+,24-,25+/m1/s1
SMILES CC1(C)CCc2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@@H](O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)C3=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron japonicum Ref.
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