input word = C00013166

Metabolite InformationStructural formula
Name [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-5a-[(Acetyloxy)methyl]octahydro-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol
Formula C30H38O11
Mw 574.24141206
CAS RN 122475-45-0
C_ID C00013166 ,
InChIKey PBBYYGCXAHKQFJ-UHFFFAOYNA-N
InChICode InChI=1S/C30H38O11/c1-16-13-23(37-18(3)32)26(39-20(5)34)29(15-36-17(2)31)24(40-27(35)21-11-9-8-10-12-21)14-22-25(38-19(4)33)30(16,29)41-28(22,6)7/h8-12,16,22-26H,13-15H2,1-7H3/t16-,22+,23-,24+,25-,26-,29+,30+/m0/s1
SMILES [C@H]12C[C@H]([C@]3([C@]([C@H](C[C@@H]([C@@H]3OC(=O)C)OC(=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 europaeus Ref.
PlantaeCelastraceaeEuonymus latifolius Ref.
PlantaeCelastraceaeMaytenus chubutensis Ref.
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