input word = C00000989

Metabolite InformationStructural formula
Name Phellamurin
Formula C26H30O11
Mw 518.1788118
CAS RN 52589-11-4
C_ID C00000989 ,
InChIKey GRDZTDZJQRPNCN-YIPRNBEHNA-N
InChICode InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeRutaceaePhellodendron japonicum MAXIM Ref.
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