input word = C00048919

Metabolite InformationStructural formula
Name Xylogranatin M
(-)-Xylogranatin M
Formula C30H36O10
Mw 556.23084737
CAS RN 1033090-45-7
C_ID C00048919 ,
InChIKey JYIHRWVZYRQUSA-KOUGZXHTNA-N
InChICode InChI=1S/C30H36O10/c1-16-20(13-24(33)36-7)29(3,4)28(38-17(2)31)19-12-22(39-26(16)19)21-14-25(34)40-27(18-9-11-37-15-18)30(21,5)10-8-23(32)35-6/h9,11-12,14-16,20,27-28H,8,10,13H2,1-7H3/t16-,20-,27+,28+,30-/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(=O)C)(C)C)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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OrganismXylocarpus granatum
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165