input word = C00013176

Metabolite InformationStructural formula
Name Ejap 14
[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]-4,6,10-tris(Acetyloxy)-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid
Formula C29H37NO11
Mw 575.23666103
CAS RN 122475-51-8
C_ID C00013176 ,
InChIKey SQFNSXGWZVTVDY-UHFFFAOYNA-N
InChICode InChI=1S/C29H37NO11/c1-15-10-11-21(37-17(3)32)28(14-36-16(2)31)25(40-26(35)20-9-8-12-30-13-20)23(38-18(4)33)22-24(39-19(5)34)29(15,28)41-27(22,6)7/h8-9,12-13,15,21-25H,10-11,14H2,1-7H3/t15-,21+,22-,23-,24+,25+,28-,29-/m1/s1
SMILES CC(=O)OCC12C(OC(C)=O)CCC(C)C13OC(C)(C)C(C(OC(C)=O)C2OC(=O)c1cccnc1)C3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
zoom in