input word = C00003531

Metabolite InformationStructural formula
Name Ilexolide A
Formula C35H54O7
Mw 586.38695408
CAS RN 85344-31-6
C_ID C00003531 ,
InChIKey FHYVXROQJGJCKH-ZYYFIUBXNA-N
InChICode InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23-,24+,25-,27-,28-,29+,32-,33+,34+,35-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)C1=C([C@H](CC[C@@]1(CC2)C(=O)O)C)C)C)C)C)(C)C)O[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex pubescens Ref.
zoom in



OrganismIlex pubescens
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53