input word = C00042653

Metabolite InformationStructural formula
Name Kudinoside C
(-)-Kudinoside C
Formula C53H84O23
Mw 1088.54033899
CAS RN 181362-77-6
C_ID C00042653 ,
InChIKey OKFRAIRVSPMCCP-XJXBUVBFNA-N
InChICode InChI=1S/C53H84O23/c1-21-30(58)33(61)36(64)42(69-21)75-40-38(73-45-39(35(63)32(60)25(19-55)71-45)74-43-37(65)34(62)31(59)24(18-54)70-43)23(57)20-68-44(40)72-28-10-11-48(4)26(47(28,2)3)9-12-49(5)27(48)17-22(56)29-41-52(8,67)51(7)14-16-53(41,46(66)76-51)15-13-50(29,49)6/h21-28,30-40,42-45,54-65,67H,9-20H2,1-8H3/t21-,22+,23+,24+,25+,26-,27+,28-,30-,31+,32+,33+,34-,35-,36+,37+,38-,39+,40+,42-,43-,44-,45-,48-,49+,50+,51-,52-,53+/m0/s1
SMILES [C@@]1(C2=C3[C@@](CC[C@@]42C(=O)O[C@]1(CC4)C)([C@]1([C@H](C[C@H]3O)[C@@]2([C@@H](CC1)C([C@H](CC2)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)O)(C)C)C)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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