input word = C00009268

Metabolite InformationStructural formula
Name Arachnitannin 1
Formula C47H36O16
Mw 856.20033511
CAS RN 135329-58-7
C_ID C00009268 ,
InChIKey MCMUZGMOFCNIGZ-VSBYGPBTNA-N
InChICode InChI=1S/C47H36O16/c48-21-7-1-18(2-8-21)42-40(56)25-15-32(55)59-29-16-27(53)35(44(60-42)33(25)29)38-36-28(54)17-31-37(45(36)61-43(41(38)57)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)62-47(63-31,46(39)58)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-54,56-58H,15H2/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(cc2c3c1O[C@@H]([C@@H]([C@H]3CC(=O)O2)O)c1ccc(cc1)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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