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 CC1=C2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)C6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex pubescens Ref.
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