input word = C00048916

Metabolite InformationStructural formula
Name Xylogranatin J
(-)-Xylogranatin J
Formula C29H36O9
Mw 528.23593275
CAS RN 1033090-42-4
C_ID C00048916 ,
InChIKey UMJYPRYDRIWKHX-IPBKGRDKNA-N
InChICode InChI=1S/C29H36O9/c1-16-19(13-23(31)34-6)28(2,3)27(35-7)18-12-21(37-25(16)18)20-14-24(32)38-26(17-9-11-36-15-17)29(20,4)10-8-22(30)33-5/h9,11-12,14-16,19,26-27H,8,10,13H2,1-7H3/t16-,19-,26+,27+,29-/m1/s1
SMILES [C@@H]1(C([C@H](c2c([C@@H]1C)oc(c2)C1=CC(=O)O[C@H]([C@@]1(CCC(=O)OC)C)c1cocc1)OC)(C)C)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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