input word = C00050814

Metabolite InformationStructural formula
Name Ilekudinol A
Formula C29H42O4
Mw 454.30830983
CAS RN 242794-71-4
C_ID C00050814
InChIKey ATPPQNYORHPCJE-UHFFFAOYNA-N
InChICode InChI=1S/C29H42O4/c1-16-7-11-28-14-13-27(6)26(5)10-8-19-18(3)22(31)20(30)15-25(19,4)21(26)9-12-29(27,33-24(28)32)23(28)17(16)2/h9,12,16-17,19-23,30-31H,3,7-8,10-11,13-15H2,1-2,4-6H3/t16-,17+,19+,20-,21-,22-,23-,25+,26-,27+,28+,29+/m1/s1
SMILES C=C1C(O)C(O)CC2(C)C1CCC1(C)C2C=CC23OC(=O)C4(CCC(C)C(C)C42)CCC13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
PlantaeAquifoliaceaeIlex kudingcha Ref.
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