input word = C00002825

Metabolite InformationStructural formula
Name Frangulin B
Formula C20H18O9
Mw 402.09508217
CAS RN 14101-04-3
C_ID C00002825 ,
InChIKey AEQMIFRODRFTJF-MNKASGQYNA-N
InChICode InChI=1S/C20H18O9/c1-8-2-10-14(12(22)3-8)17(25)15-11(16(10)24)4-9(5-13(15)23)29-19-18(26)20(27,6-21)7-28-19/h2-5,18-19,21-23,26-27H,6-7H2,1H3/t18-,19-,20+/m0/s1
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)C)O[C@@H]1OC[C@]([C@H]1O)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus cathartica Ref.
PlantaeRhamnaceaeRhamnus frangula Ref.
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