input word = C00009295

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-dryopteric acid
Formula C47H38O20
Mw 922.19564366
CAS RN 135329-59-8
C_ID C00009295 ,
InChIKey PCFVIHJYMQZKLI-GGDYHXRRNA-N
InChICode InChI=1S/C47H38O20/c48-18-10-26(55)34-30(11-18)66-47(17-3-6-22(51)25(54)9-17)46(63)39(34)37-31(67-47)14-29(58)36-38(41(62)43(65-45(36)37)16-2-5-21(50)24(53)8-16)35-28(57)13-27(56)33-19(12-32(59)60)40(61)42(64-44(33)35)15-1-4-20(49)23(52)7-15/h1-11,13-14,19,38-43,46,48-58,61-63H,12H2,(H,59,60)/t19-,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)c1cc(c(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeArachniodes exilis Ref.
PlantaeDryopteridaceaeArachniodes sporadosora Ref.
PlantaeDryopteridaceaePolystichum polyblepharum Ref.
PlantaeDryopteridaceaePolystichum tsus-simense Ref.
PlantaePolypodiaceaeLoxogramme saziran Ref.
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