input word = C00002824

Metabolite InformationStructural formula
Name Frangulin A
Formula C21H20O9
Mw 416.11073224
CAS RN 521-62-0
C_ID C00002824 ,
InChIKey DTTVUKLWJFJOHO-DJTMREJDNA-N
InChICode InChI=1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19-,20+,21-/m0/s1
SMILES Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)cc(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus cathartica Ref.
PlantaeRhamnaceaeRhamnus frangula Ref.
--Cascara sagrada Ref.
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OrganismRhamnus cathartica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43