input word = C00049564

Metabolite InformationStructural formula
Name Ilekudinoside J
(-)-Ilekudinoside J
Formula C42H66O15
Mw 810.44017144
CAS RN 243635-71-4
C_ID C00049564 ,
InChIKey GGHRDGJZGQVBOX-NXVVBHIINA-N
InChICode InChI=1S/C42H66O15/c1-36(2)22-8-11-38(4)23(16-19(45)25-32-41(7,52)40(6)13-15-42(32,35(51)57-40)14-12-39(25,38)5)37(22,3)10-9-24(36)55-34-31(29(49)27(47)21(18-44)54-34)56-33-30(50)28(48)26(46)20(17-43)53-33/h19-24,26-31,33-34,43-50,52H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24+,26-,27-,28+,29+,30-,31-,33+,34+,37+,38-,39-,40+,41-,42-/m1/s1
SMILES C1[C@]2([C@H](C([C@H](C1)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)(C)C)CC[C@@]1([C@@H]2C[C@H](C2=C3[C@]4(CC[C@@]12C)C(=O)O[C@@]([C@]3(C)O)(C)CC4)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
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OrganismIlex kudingcha
ReferenceNishimura, et al., Journal of Natural Products, 62, (1999), 1128