input word = C00031879

Metabolite InformationStructural formula
Name Ikemagenin
Formula C30H38O6
Mw 494.26683895
CAS RN 38627-29-1
C_ID C00031879 ,
InChIKey JSEOJMNUDFVEQJ-ARWGZABLNA-N
InChICode InChI=1S/C30H38O6/c1-19(31)23-13-16-30(35)28(23,3)25(36-26(33)10-9-20-7-5-4-6-8-20)18-24-27(2)14-12-22(32)17-21(27)11-15-29(24,30)34/h4-11,22-25,32,34-35H,12-18H2,1-3H3/b10-9+/t22-,23-,24+,25+,27-,28-,29-,30+/m0/s1
SMILES CC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)[C@H](OC(=O)/C=C/c1ccccc1)C[C@@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAraujia sericifera Ref.
PlantaeApocynaceaeAsclepias tuberosa Ref.
PlantaeApocynaceaeCynanchum caudatum Max. Ref.
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