input word = C00037199

Metabolite InformationStructural formula
Name Gnemonoside K
Formula C60H62O24
Mw 1166.36310291
CAS RN 560085-38-3
C_ID C00037199 ,
InChIKey KZBLHOUHUKBAQP-OWOJBTEDNA-N
InChICode InChI=1S/C60H62O24/c61-22-40-47(68)50(71)53(74)58(82-40)77-33-9-3-25(4-10-33)1-2-26-15-36(66)45-38(16-26)80-57(28-7-13-35(14-8-28)79-60-55(76)52(73)49(70)42(24-63)84-60)44(45)30-19-37(67)46-39(20-30)81-56(43(46)29-17-31(64)21-32(65)18-29)27-5-11-34(12-6-27)78-59-54(75)51(72)48(69)41(23-62)83-59/h1-21,40-44,47-76H,22-24H2/b2-1+/t40-,41-,42-,43+,44+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58-,59+,60+/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H]2c1cc(c2c(c1)O[C@@H]([C@H]2c1cc(cc(c1)O)O)c1ccc(cc1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)c1ccc(cc1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)/C=C/c1ccc(cc1)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGnetaceaeGnetum gnemon Ref.
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OrganismGnetum gnemon
ReferenceIliya,Phytochem.,62,(2003),601