input word = C00013199

Metabolite InformationStructural formula
Name Mortonin
Mortonin A
(5alpha,5aalpha,6alpha,9beta,9aalpha)-6-(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-2H-5,9a-(epoxymethano)-1-benzoxepin-10-one
Formula C22H26O6
Mw 386.17293856
CAS RN 38344-03-5
C_ID C00013199 ,
InChIKey CMNDLCZGXCIKSM-UHFFFAOYNA-N
InChICode InChI=1S/C22H26O6/c1-19(2)12-10-16-21(4)15(26-17(23)14-8-6-5-7-9-14)11-13-20(3,25)22(21,28-19)18(24)27-16/h5-10,12,15-16,25H,11,13H2,1-4H3/t15-,16-,20-,21-,22+/m1/s1
SMILES [C@]123[C@](CC[C@H]([C@@]1([C@@H](C=CC(O2)(C)C)OC3=O)C)OC(=O)c1ccccc1)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMortonia greggii Ref.
PlantaeCelastraceaeMortonia hidalgensis Ref.
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