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.
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