input word = C00009266

Metabolite InformationStructural formula
Name Epiafzelechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-3'-deoxydryopteric acid
Formula C47H38O17
Mw 874.21089979
CAS RN 135329-60-1
C_ID C00009266 ,
InChIKey FENBOJNMIIQIMX-VSBYGPBTNA-N
InChICode InChI=1S/C47H38O17/c48-21-7-1-18(2-8-21)42-40(58)25(15-32(56)57)33-27(53)16-28(54)35(44(33)61-42)38-36-29(55)17-31-37(45(36)62-43(41(38)59)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)63-47(64-31,46(39)60)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-55,58-60H,15H2,(H,56,57)/t25-,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)c1ccc(cc1)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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