input word = C00013185

Metabolite InformationStructural formula
Name Ejap 7
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-6,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
Formula C27H35NO9
Mw 517.23118172
CAS RN 122475-49-4
C_ID C00013185 ,
InChIKey UJALGRQWOWADFX-UHFFFAOYNA-N
InChICode InChI=1S/C27H35NO9/c1-15-9-10-21(34-17(3)30)26(14-33-16(2)29)22(36-24(32)19-8-7-11-28-13-19)12-20-23(35-18(4)31)27(15,26)37-25(20,5)6/h7-8,11,13,15,20-23H,9-10,12,14H2,1-6H3/t15-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)CCC(C)C13OC(C)(C)C(CC2OC(=O)c1cccnc1)C3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
zoom in