input word = C00013184

Metabolite InformationStructural formula
Name Ejap 2
[3R-(3alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5,6,10-triol 6,10-diacetate 5-benzoate
Formula C28H36O9
Mw 516.23593275
CAS RN 122475-48-3
C_ID C00013184 ,
InChIKey ZFUSDYXRBKYLMJ-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O9/c1-16-12-13-22(34-18(3)30)27(15-33-17(2)29)23(36-25(32)20-10-8-7-9-11-20)14-21-24(35-19(4)31)28(16,27)37-26(21,5)6/h7-11,16,21-24H,12-15H2,1-6H3/t16-,21+,22+,23+,24-,27-,28+/m1/s1
SMILES [C@@H]12C[C@@H]([C@@]3([C@@]([C@@H](CC[C@@H]3OC(=O)C)C)(OC1(C)C)[C@@H]2OC(=O)C)COC(=O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
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