input word = C00009269

Metabolite InformationStructural formula
Name Epiafzelechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-dryopteric acid
Formula C47H38O18
Mw 890.20581441
CAS RN 135308-95-1
C_ID C00009269 ,
InChIKey QUBRRBCBDKVJRQ-OPGTXPIUNA-N
InChICode InChI=1S/C47H38O18/c48-20-6-1-17(2-7-20)42-41(60)38(35-28(55)15-27(54)33-23(14-32(57)58)40(59)43(63-44(33)35)18-3-10-24(51)25(52)11-18)36-29(56)16-31-37(45(36)62-42)39-34-26(53)12-22(50)13-30(34)64-47(65-31,46(39)61)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-56,59-61H,14H2,(H,57,58)/t23-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@H]1c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2CC(=O)O)O)c1cc(c(cc1)O)O)O)O)O)c1ccc(cc1)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeArachniodes exilis Ref.
PlantaeDryopteridaceaeArachniodes sporadosora Ref.
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