input word = C00013175

Metabolite InformationStructural formula
Name Ejap 3
2[3R-(3alpha,4alpha,5beta,5aalpha,6alpha,9alpha,9aalpha,10R*)]- 5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-H-3,9a-methano-1-benzoxepin-4,5,6,10-tetrol 4,6,10-triacetate 5-benzoate
Formula C30H38O11
Mw 574.24141206
CAS RN 122475-50-7
C_ID C00013175 ,
InChIKey BVFLIUGCQWUBKI-UHFFFAOYNA-N
InChICode InChI=1S/C30H38O11/c1-16-13-14-22(37-18(3)32)29(15-36-17(2)31)26(40-27(35)21-11-9-8-10-12-21)24(38-19(4)33)23-25(39-20(5)34)30(16,29)41-28(23,6)7/h8-12,16,22-26H,13-15H2,1-7H3/t16-,22-,23+,24-,25-,26+,29-,30+/m0/s1
SMILES [C@H]12[C@@H]([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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeEuonymus japonicus Ref.
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