input word = C00049561

Metabolite InformationStructural formula
Name Ilekudinoside F
(+)-Ilekudinoside F
Formula C65H104O31
Mw 1380.65615661
CAS RN 243635-67-8
C_ID C00049561 ,
InChIKey RRAZMCQBEZRQIH-WEOFSJNFNA-N
InChICode InChI=1S/C65H104O31/c1-24-12-17-65(59(83)96-58-50(44(79)39(74)31(22-68)90-58)93-53-45(80)40(75)35(70)25(2)86-53)19-18-62(7)27(52(65)64(24,9)84)10-11-33-61(6)15-14-34(60(4,5)32(61)13-16-63(33,62)8)91-56-51(95-54-46(81)41(76)36(71)26(3)87-54)48(28(69)23-85-56)92-57-49(43(78)38(73)30(21-67)89-57)94-55-47(82)42(77)37(72)29(20-66)88-55/h10,25-26,28-58,66-82,84H,1,11-23H2,2-9H3/t25-,26-,28-,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47+,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,61-,62+,63+,64+,65-/m0/s1
SMILES C1[C@]2([C@H](C([C@H](C1)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)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)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@](C(=C)CC1)(C)O)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudincha Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
zoom in



OrganismIlex kudingcha
ReferenceNishimura, et al., Journal of Natural Products, 62, (1999), 1128