input word = C00009270

Metabolite InformationStructural formula
Name Arachnitannin 3
Formula C47H36O17
Mw 872.19524973
CAS RN 135329-57-6
C_ID C00009270 ,
InChIKey PGZNWCVHENRBJD-OPGTXPIUNA-N
InChICode InChI=1S/C47H36O17/c48-20-6-1-17(2-7-20)42-41(58)38(35-27(54)15-29-33-23(14-32(56)60-29)40(57)43(62-44(33)35)18-3-10-24(51)25(52)11-18)36-28(55)16-31-37(45(36)61-42)39-34-26(53)12-22(50)13-30(34)63-47(64-31,46(39)59)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-55,57-59H,14H2/t23-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
SMILES O=C1C[C@H]2c3c(cc(O)c([C@H]4c5c(O)cc6c(c5O[C@H](c5ccc(O)cc5)[C@@H]4O)[C@H]4c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O6)[C@@H]4O)c3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeArachniodes exilis Ref.
PlantaeDryopteridaceaeArachniodes sporadosora Ref.
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OrganismArachniodes sporadosora
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Tanaka,Chem.Pharm.Bull,38,(1991),55