input word = C00050816

Metabolite InformationStructural formula
Name Ilekudinol C
Formula C30H50O3
Mw 458.37599546
CAS RN 242794-73-6
C_ID C00050816
InChIKey PHMKDBZGQWXPAZ-VUKHICPBNA-N
InChICode InChI=1S/C30H50O3/c1-19(2)20-9-14-30(18-32)16-15-28(5)21(25(20)30)7-8-23-26(3)12-11-24(33)27(4,17-31)22(26)10-13-29(23,28)6/h20-25,31-33H,1,7-18H2,2-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29+,30+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex kudingcha Ref.
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