input word = C00009296

Metabolite InformationStructural formula
Name Arachnitannin 2
Formula C47H36O19
Mw 904.18507897
CAS RN 135308-93-9
C_ID C00009296 ,
InChIKey NHIZNZFPJBEXMQ-GGDYHXRRNA-N
InChICode InChI=1S/C47H36O19/c48-18-10-26(55)34-30(11-18)65-47(17-3-6-22(51)25(54)9-17)46(61)39(34)37-31(66-47)14-28(57)36-38(41(60)43(64-45(36)37)16-2-5-21(50)24(53)8-16)35-27(56)13-29-33-19(12-32(58)62-29)40(59)42(63-44(33)35)15-1-4-20(49)23(52)7-15/h1-11,13-14,19,38-43,46,48-57,59-61H,12H2/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(cc2c3c1O[C@@H]([C@@H]([C@H]3CC(=O)O2)O)c1cc(c(cc1)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.
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