input word = C00033095

Metabolite InformationStructural formula
Name Kudinoside G
Latifoliaside II
Formula C53H86O22
Mw 1074.56107443
CAS RN 173792-64-8
C_ID C00033095 ,
InChIKey XPHZAIDDYJZVAV-WDDGYBAWNA-N
InChICode InChI=1S/C53H86O22/c1-22-11-16-53(47(66)75-45-39(65)36(62)33(59)27(20-55)71-45)18-17-50(6)24(42(53)52(22,8)67)9-10-29-49(5)14-13-30(48(3,4)28(49)12-15-51(29,50)7)72-46-41(74-43-37(63)34(60)31(57)23(2)69-43)40(25(56)21-68-46)73-44-38(64)35(61)32(58)26(19-54)70-44/h9,22-23,25-46,54-65,67H,10-21H2,1-8H3/t22-,23+,25-,26-,27-,28+,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,45+,46+,49+,50-,51-,52-,53+/m1/s1
SMILES C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@H]7[C@](C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)(CC[C@@H](C)[C@@]7(C)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
PlantaeAquifoliaceaeIlex latifolia THUNB Ref.
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OrganismIlex kudingcha
ReferenceOuyang, et al., Phytochemistry, 41, (1996), 871